CID 281894

Bicyclo[2.2.1]hept-2-ene-2-carboxylic acid

Structural Information

Molecular Formula
C8H10O2
SMILES
C1CC2CC1C=C2C(=O)O
InChI
InChI=1S/C8H10O2/c9-8(10)7-4-5-1-2-6(7)3-5/h4-6H,1-3H2,(H,9,10)
InChIKey
OMCJAQLEGLBYJY-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]hept-2-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1486
Patents

138.06808 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 129.4
[M+Na]+ 161.05730 137.2
[M-H]- 137.06080 131.3
[M+NH4]+ 156.10190 155.5
[M+K]+ 177.03124 135.4
[M+H-H2O]+ 121.06534 125.8
[M+HCOO]- 183.06628 150.5
[M+CH3COO]- 197.08193 170.7
[M+Na-2H]- 159.04275 133.0
[M]+ 138.06753 128.3
[M]- 138.06863 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe