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 128.1
[M+Na]+ 175.07294 133.3
[M-H]- 151.07644 130.9
[M+NH4]+ 170.11754 143.0
[M+K]+ 191.04688 134.7
[M+H-H2O]+ 135.08098 118.3
[M+HCOO]- 197.08192 146.0
[M+CH3COO]- 211.09757 177.8
[M+Na-2H]- 173.05839 133.4
[M]+ 152.08317 133.7
[M]- 152.08427 133.7
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.