CID 145874804

2278552-38-6

Structural Information

Molecular Formula
C8H12O2
SMILES
C1C[C@H]2[C@@H]1CCC2C(=O)O
InChI
InChI=1S/C8H12O2/c9-8(10)7-4-2-5-1-3-6(5)7/h5-7H,1-4H2,(H,9,10)/t5-,6-,7?/m0/s1
InChIKey
VWHAMUYEURGAJM-WABBHOIFSA-N
Compound name
(1S,5S)-bicyclo[3.2.0]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 129.1
[M+Na]+ 163.07294 133.5
[M+NH4]+ 158.11754 133.8
[M+K]+ 179.04688 132.5
[M-H]- 139.07644 126.6
[M+Na-2H]- 161.05839 129.0
[M]+ 140.08317 127.5
[M]- 140.08427 127.5
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.