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

7885
References

57576
Patents

148.05243 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.059706 128.8
[M+Na]+ 171.041648 136.2
[M-H]- 147.045154 131.2
[M+NH4]+ 166.086253 149.3
[M+K]+ 187.015588 133.7
[M+H-H2O]+ 131.049690 123.6
[M+HCOO]- 193.050631 151.8
[M+CH3COO]- 207.066281 171.1
[M+Na-2H]- 169.027096 135.4
[M]+ 148.05188142 127.6
[M]- 148.05297858 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe