CID 444539

Cinnamic acid

Structural Information

Molecular Formula

C₉H₈O₂

SMILES

C1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+

InChIKey

WBYWAXJHAXSJNI-VOTSOKGWSA-N

Compound name

(E)-3-phenylprop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 7857
References: 56869
Patents: 148.05243 Da
Monoisotopic Mass: 2.1
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]+	149.05971	128.8
[M+Na]+	171.04165	136.2
[M-H]-	147.04515	131.2
[M+NH4]+	166.08625	149.3
[M+K]+	187.01559	133.7
[M+H-H2O]+	131.04969	123.6
[M+HCOO]-	193.05063	151.8
[M+CH3COO]-	207.06628	171.1
[M+Na-2H]-	169.02710	135.4
[M]+	148.05188	127.6
[M]-	148.05298	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe