CID 302324

14381-41-0

Structural Information

Molecular Formula
C9H8O2
SMILES
C1C(C2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C9H8O2/c10-9(11)8-5-6-3-1-2-4-7(6)8/h1-4,8H,5H2,(H,10,11)
InChIKey
NYOXTUZNVYEODT-UHFFFAOYSA-N
Compound name
bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

148.05243 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05971 126.3
[M+Na]+ 171.04165 134.3
[M+NH4]+ 166.08625 131.4
[M+K]+ 187.01559 130.7
[M-H]- 147.04515 125.1
[M+Na-2H]- 169.02710 129.8
[M]+ 148.05188 125.8
[M]- 148.05298 125.8
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