CID 79113

Bicyclo[2.2.1]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC2CC1CC2C(=O)O
InChI
InChI=1S/C8H12O2/c9-8(10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,9,10)
InChIKey
JESWDXIHOJGWBP-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2191
Patents

140.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 131.4
[M+Na]+ 163.07294 138.2
[M-H]- 139.07644 132.9
[M+NH4]+ 158.11754 157.3
[M+K]+ 179.04688 136.6
[M+H-H2O]+ 123.08098 127.8
[M+HCOO]- 185.08192 151.1
[M+CH3COO]- 199.09757 171.1
[M+Na-2H]- 161.05839 134.1
[M]+ 140.08317 128.8
[M]- 140.08427 128.8
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.