CID 3065927

1-ethyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid (exo,exo)-

Structural Information

Molecular Formula
C10H14O5
SMILES
CCC12CCC(O1)C(C2C(=O)O)C(=O)O
InChI
InChI=1S/C10H14O5/c1-2-10-4-3-5(15-10)6(8(11)12)7(10)9(13)14/h5-7H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKey
SSRIKUWKLSGZSE-UHFFFAOYSA-N
Compound name
1-ethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.08412 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.091396 146.1
[M+Na]+ 237.073338 153.1
[M-H]- 213.076844 147.0
[M+NH4]+ 232.117943 169.0
[M+K]+ 253.047278 152.5
[M+H-H2O]+ 197.081380 144.0
[M+HCOO]- 259.082321 162.2
[M+CH3COO]- 273.097971 181.8
[M+Na-2H]- 235.058786 148.3
[M]+ 214.08357142 146.8
[M]- 214.08466858 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.