CID 137935474

2248290-95-9

Structural Information

Molecular Formula
C9H12O2
SMILES
C1CC[C@H]2[C@@H](C1)C=C2C(=O)O
InChI
InChI=1S/C9H12O2/c10-9(11)8-5-6-3-1-2-4-7(6)8/h5-7H,1-4H2,(H,10,11)/t6-,7-/m0/s1
InChIKey
PGBSRNABJWPBBA-BQBZGAKWSA-N
Compound name
(1S,6S)-bicyclo[4.2.0]oct-7-ene-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 130.6
[M+Na]+ 175.07294 136.8
[M+NH4]+ 170.11754 135.6
[M+K]+ 191.04688 133.5
[M-H]- 151.07644 129.1
[M+Na-2H]- 173.05839 132.2
[M]+ 152.08317 129.7
[M]- 152.08427 129.7
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.