CID 70078875

3-(3-amino-4-methoxyphenyl)propanoic acid

Structural Information

Molecular Formula
C10H13NO3
SMILES
COC1=C(C=C(C=C1)CCC(=O)O)N
InChI
InChI=1S/C10H13NO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6H,3,5,11H2,1H3,(H,12,13)
InChIKey
KBNCQCURLYEOQW-UHFFFAOYSA-N
Compound name
3-(3-amino-4-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

195.08954 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 141.4
[M+Na]+ 218.07876 148.8
[M-H]- 194.08226 143.6
[M+NH4]+ 213.12336 159.8
[M+K]+ 234.05270 146.9
[M+H-H2O]+ 178.08680 135.5
[M+HCOO]- 240.08774 164.4
[M+CH3COO]- 254.10339 184.5
[M+Na-2H]- 216.06421 145.1
[M]+ 195.08899 141.8
[M]- 195.09009 141.8
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