CID 1549514

4-aminocinnamic acid

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1=CC(=CC=C1/C=C/C(=O)O)N
InChI
InChI=1S/C9H9NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,10H2,(H,11,12)/b6-3+
InChIKey
JOLPMPPNHIACPD-ZZXKWVIFSA-N
Compound name
(E)-3-(4-aminophenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

1317
Patents

163.06332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 134.0
[M+Na]+ 186.05254 145.0
[M+NH4]+ 181.09714 141.4
[M+K]+ 202.02648 139.7
[M-H]- 162.05604 135.3
[M+Na-2H]- 184.03799 139.6
[M]+ 163.06277 135.6
[M]- 163.06387 135.6
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