CID 3017938

Benzenepropanoic acid, 5-amino-2-methoxy-, hydrochloride

Structural Information

Molecular Formula
C10H13NO3
SMILES
COC1=C(C=C(C=C1)N)CCC(=O)O
InChI
InChI=1S/C10H13NO3/c1-14-9-4-3-8(11)6-7(9)2-5-10(12)13/h3-4,6H,2,5,11H2,1H3,(H,12,13)
InChIKey
HIEOAHAMBZIBGC-UHFFFAOYSA-N
Compound name
3-(5-amino-2-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

195.08954 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 141.8
[M+Na]+ 218.07876 152.5
[M+NH4]+ 213.12336 148.7
[M+K]+ 234.05270 147.8
[M-H]- 194.08226 142.8
[M+Na-2H]- 216.06421 146.6
[M]+ 195.08899 143.3
[M]- 195.09009 143.3
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

patents stripe