CID 55280977

64701-77-5

Structural Information

Molecular Formula

C₁₂H₁₂O₂

SMILES

C1CC1/C(=C/C(=O)O)/C2=CC=CC=C2

InChI

InChI=1S/C12H12O2/c13-12(14)8-11(10-6-7-10)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,13,14)/b11-8+

InChIKey

DPWCLFBGHCDKJW-DHZHZOJOSA-N

Compound name

(Z)-3-cyclopropyl-3-phenylprop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 188.08372 Da
Monoisotopic Mass: 3.0
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]+	189.09100	143.7
[M+Na]+	211.07294	156.6
[M+NH4]+	206.11754	152.2
[M+K]+	227.04688	152.1
[M-H]-	187.07644	152.8
[M+Na-2H]-	209.05839	152.8
[M]+	188.08317	149.1
[M]-	188.08427	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe