CID 18711219

Schembl13797243

Structural Information

Molecular Formula
C11H10O2
SMILES
C1CC2=C1C=CC(=C2)/C=C/C(=O)O
InChI
InChI=1S/C11H10O2/c12-11(13)6-2-8-1-3-9-4-5-10(9)7-8/h1-3,6-7H,4-5H2,(H,12,13)/b6-2+
InChIKey
IZCTXTLRNULVRN-QHHAFSJGSA-N
Compound name
(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

174.06808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 135.1
[M+Na]+ 197.05730 142.8
[M+NH4]+ 192.10190 139.6
[M+K]+ 213.03124 138.6
[M-H]- 173.06080 133.6
[M+Na-2H]- 195.04275 137.9
[M]+ 174.06753 134.4
[M]- 174.06863 134.4
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

patents stripe