CID 34655

2-(4-aminophenyl)butanoic acid

Structural Information

Molecular Formula
C10H13NO2
SMILES
CCC(C1=CC=C(C=C1)N)C(=O)O
InChI
InChI=1S/C10H13NO2/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9H,2,11H2,1H3,(H,12,13)
InChIKey
WAPLXGPARWRGJO-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

443
Patents

179.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 139.3
[M+Na]+ 202.08386 145.6
[M-H]- 178.08736 141.2
[M+NH4]+ 197.12846 158.1
[M+K]+ 218.05780 143.6
[M+H-H2O]+ 162.09190 133.5
[M+HCOO]- 224.09284 161.1
[M+CH3COO]- 238.10849 182.0
[M+Na-2H]- 200.06931 142.4
[M]+ 179.09409 137.2
[M]- 179.09519 137.2
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