CID 167844

Brn 0192356

Structural Information

Molecular Formula

C₈H₈O₅

SMILES

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

InChI

InChI=1S/C8H8O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)

InChIKey

SSYFZUVBHHVNMR-UHFFFAOYSA-N

Compound name

7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 184.03717 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

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]+	185.04445	135.6
[M+Na]+	207.02639	143.5
[M-H]-	183.02989	137.1
[M+NH4]+	202.07099	157.8
[M+K]+	223.00033	143.3
[M+H-H2O]+	167.03443	132.8
[M+HCOO]-	229.03537	154.1
[M+CH3COO]-	243.05102	175.9
[M+Na-2H]-	205.01184	138.5
[M]+	184.03662	136.8
[M]-	184.03772	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe