CID 43026

2-(4-aminophenyl)propanoic acid

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC(C1=CC=C(C=C1)N)C(=O)O
InChI
InChI=1S/C9H11NO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3,(H,11,12)
InChIKey
WOMVICAMAQURRN-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

674
Patents

165.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 134.8
[M+Na]+ 188.06820 145.4
[M+NH4]+ 183.11280 142.3
[M+K]+ 204.04214 141.1
[M-H]- 164.07170 136.1
[M+Na-2H]- 186.05365 140.2
[M]+ 165.07843 136.4
[M]- 165.07953 136.4
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

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