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	138.1
[M+Na]+	211.07294	145.8
[M-H]-	187.07644	144.2
[M+NH4]+	206.11754	152.0
[M+K]+	227.04688	142.3
[M+H-H2O]+	171.08098	131.7
[M+HCOO]-	233.08192	159.8
[M+CH3COO]-	247.09757	183.0
[M+Na-2H]-	209.05839	142.6
[M]+	188.08317	138.6
[M]-	188.08427	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe