CID 21117871

1-aminocinnamic acid hydrochloride

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1C=CC=CC1(/C=C/C(=O)O)N
InChI
InChI=1S/C9H11NO2/c10-9(7-4-8(11)12)5-2-1-3-6-9/h1-5,7H,6,10H2,(H,11,12)/b7-4+
InChIKey
RAPYNAZMJBLLQS-QPJJXVBHSA-N
Compound name
(E)-3-(1-aminocyclohexa-2,4-dien-1-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07898 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 135.3
[M+Na]+ 188.068198 141.7
[M-H]- 164.071704 137.0
[M+NH4]+ 183.112803 156.3
[M+K]+ 204.042138 139.2
[M+H-H2O]+ 148.076240 130.4
[M+HCOO]- 210.077181 157.1
[M+CH3COO]- 224.092831 175.2
[M+Na-2H]- 186.053646 141.1
[M]+ 165.07843142 131.2
[M]- 165.07952858 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.