CID 27049

4-(4-aminophenyl)butanoic acid

Structural Information

Molecular Formula
C10H13NO2
SMILES
C1=CC(=CC=C1CCCC(=O)O)N
InChI
InChI=1S/C10H13NO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3,11H2,(H,12,13)
InChIKey
RBHLFWNKEWLHBP-UHFFFAOYSA-N
Compound name
4-(4-aminophenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1711
Patents

179.09464 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 138.9
[M+Na]+ 202.08386 145.5
[M-H]- 178.08736 140.7
[M+NH4]+ 197.12846 157.7
[M+K]+ 218.05780 142.9
[M+H-H2O]+ 162.09190 133.0
[M+HCOO]- 224.09284 161.7
[M+CH3COO]- 238.10849 181.1
[M+Na-2H]- 200.06931 143.3
[M]+ 179.09409 137.4
[M]- 179.09519 137.4
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

patents stripe