CID 266764

2-(phenylamino)butanoic acid

Structural Information

Molecular Formula
C10H13NO2
SMILES
CCC(C(=O)O)NC1=CC=CC=C1
InChI
InChI=1S/C10H13NO2/c1-2-9(10(12)13)11-8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3,(H,12,13)
InChIKey
LZHXNUAOYPZQJM-UHFFFAOYSA-N
Compound name
2-anilinobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

179.09464 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 139.2
[M+Na]+ 202.08386 144.5
[M-H]- 178.08736 141.2
[M+NH4]+ 197.12846 157.9
[M+K]+ 218.05780 142.8
[M+H-H2O]+ 162.09190 133.1
[M+HCOO]- 224.09284 161.6
[M+CH3COO]- 238.10849 181.4
[M+Na-2H]- 200.06931 144.1
[M]+ 179.09409 137.7
[M]- 179.09519 137.7
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

No patent data available for this compound.