CID 18711219

404964-60-9

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: 25
Patents: 174.06808 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	175.075356	134.0
[M+Na]+	197.057298	140.9
[M-H]-	173.060804	137.3
[M+NH4]+	192.101903	148.3
[M+K]+	213.031238	140.8
[M+H-H2O]+	157.065340	123.8
[M+HCOO]-	219.066281	154.4
[M+CH3COO]-	233.081931	181.5
[M+Na-2H]-	195.042746	140.1
[M]+	174.06753142	142.4
[M]-	174.06862858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe