CID 12757495

Bicyclo[2.2.1]heptane-7-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC2CCC1C2C(=O)O
InChI
InChI=1S/C8H12O2/c9-8(10)7-5-1-2-6(7)4-3-5/h5-7H,1-4H2,(H,9,10)
InChIKey
JTOORKXBTBVURJ-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]heptane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

140.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 129.5
[M+Na]+ 163.07294 137.2
[M+NH4]+ 158.11754 138.5
[M+K]+ 179.04688 136.1
[M-H]- 139.07644 128.8
[M+Na-2H]- 161.05839 130.1
[M]+ 140.08317 129.9
[M]- 140.08427 129.9
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