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

1388
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 130.9
[M+Na]+ 163.07294 138.4
[M+NH4]+ 158.11754 141.4
[M+K]+ 179.04688 135.3
[M-H]- 139.07644 130.1
[M+Na-2H]- 161.05839 133.2
[M]+ 140.08317 131.5
[M]- 140.08427 131.5
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