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]+ 153.090996 128.1
[M+Na]+ 175.072938 133.3
[M-H]- 151.076444 130.9
[M+NH4]+ 170.117543 143.0
[M+K]+ 191.046878 134.7
[M+H-H2O]+ 135.080980 118.3
[M+HCOO]- 197.081921 146.0
[M+CH3COO]- 211.097571 177.8
[M+Na-2H]- 173.058386 133.4
[M]+ 152.08317142 133.7
[M]- 152.08426858 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.