CID 91882447

Bicyclo[4.2.0]octa-1,3,5-triene-3-acetic acid

Structural Information

Molecular Formula
C10H10O2
SMILES
C1CC2=C1C=CC(=C2)CC(=O)O
InChI
InChI=1S/C10H10O2/c11-10(12)6-7-1-2-8-3-4-9(8)5-7/h1-2,5H,3-4,6H2,(H,11,12)
InChIKey
SWLZWPFPDWNUMQ-UHFFFAOYSA-N
Compound name
2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.06808 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07536 130.2
[M+Na]+ 185.05730 137.1
[M-H]- 161.06080 133.6
[M+NH4]+ 180.10190 144.9
[M+K]+ 201.03124 137.9
[M+H-H2O]+ 145.06534 120.1
[M+HCOO]- 207.06628 150.6
[M+CH3COO]- 221.08193 180.0
[M+Na-2H]- 183.04275 136.8
[M]+ 162.06753 139.0
[M]- 162.06863 139.0
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.