CID 140414

Bicyclo[2.2.1]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC2(CCC1C2)C(=O)O
InChI
InChI=1S/C8H12O2/c9-7(10)8-3-1-6(5-8)2-4-8/h6H,1-5H2,(H,9,10)
InChIKey
LKXGYGYFPTZHLC-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1292
Patents

140.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 132.3
[M+Na]+ 163.07294 139.1
[M-H]- 139.07644 133.7
[M+NH4]+ 158.11754 159.9
[M+K]+ 179.04688 137.4
[M+H-H2O]+ 123.08098 129.0
[M+HCOO]- 185.08192 151.9
[M+CH3COO]- 199.09757 169.5
[M+Na-2H]- 161.05839 136.6
[M]+ 140.08317 129.6
[M]- 140.08427 129.6
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.