CID 2735406

3-(3-aminophenyl)propanoic acid

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1=CC(=CC(=C1)N)CCC(=O)O
InChI
InChI=1S/C9H11NO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5,10H2,(H,11,12)
InChIKey
SBHFVSXLYOBZKD-UHFFFAOYSA-N
Compound name
3-(3-aminophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

468
Patents

165.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 134.5
[M+Na]+ 188.06820 145.5
[M+NH4]+ 183.11280 142.2
[M+K]+ 204.04214 140.3
[M-H]- 164.07170 136.1
[M+Na-2H]- 186.05365 140.3
[M]+ 165.07843 136.3
[M]- 165.07953 136.3
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