CID 17851595

Bicyclo[2.2.1]hept-2-ene-1-carboxylic acid

Structural Information

Molecular Formula
C8H10O2
SMILES
C1CC2(CC1C=C2)C(=O)O
InChI
InChI=1S/C8H10O2/c9-7(10)8-3-1-6(5-8)2-4-8/h1,3,6H,2,4-5H2,(H,9,10)
InChIKey
LMJVDYDHTWAXDL-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]hept-2-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1451
Patents

138.06808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.075356 130.2
[M+Na]+ 161.057298 138.2
[M-H]- 137.060804 132.1
[M+NH4]+ 156.101903 158.1
[M+K]+ 177.031238 136.3
[M+H-H2O]+ 121.065340 127.0
[M+HCOO]- 183.066281 151.4
[M+CH3COO]- 197.081931 169.1
[M+Na-2H]- 159.042746 135.6
[M]+ 138.06753142 129.1
[M]- 138.06862858 129.1
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