PubChemLite - Endothall (C8H10O5)

Structural Information

Molecular Formula

C₈H₁₀O₅

SMILES

C1CC2C(C(C1O2)C(=O)O)C(=O)O

InChI

InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)

InChIKey

GXEKYRXVRROBEV-UHFFFAOYSA-N

Compound name

7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	187.06011	137.4
[M+Na]+	209.04205	144.3
[M-H]-	185.04555	138.5
[M+NH4]+	204.08665	159.4
[M+K]+	225.01599	144.2
[M+H-H2O]+	169.05009	134.7
[M+HCOO]-	231.05103	154.3
[M+CH3COO]-	245.06668	176.3
[M+Na-2H]-	207.02750	139.3
[M]+	186.05228	137.1
[M]-	186.05338	137.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

187.06011

137.4

[M+Na]+

209.04205

144.3

[M-H]-

185.04555

138.5

[M+NH4]+

204.08665

159.4

[M+K]+

225.01599

144.2

[M+H-H2O]+

169.05009

134.7

[M+HCOO]-

231.05103

154.3

[M+CH3COO]-

245.06668

176.3

[M+Na-2H]-

207.02750

139.3

[M]+

186.05228

137.1

[M]-

186.05338

137.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Endothall

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe