CID 19773731

4-amino-n-phenylbutanamide hydrochloride

Structural Information

Molecular Formula
C10H14N2O
SMILES
C1=CC=C(C=C1)NC(=O)CCCN
InChI
InChI=1S/C10H14N2O/c11-8-4-7-10(13)12-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,11H2,(H,12,13)
InChIKey
NEQLHGVVCYJTQN-UHFFFAOYSA-N
Compound name
4-amino-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

178.11061 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.117886 139.4
[M+Na]+ 201.099828 144.8
[M-H]- 177.103334 142.2
[M+NH4]+ 196.144433 158.5
[M+K]+ 217.073768 142.5
[M+H-H2O]+ 161.107870 132.8
[M+HCOO]- 223.108811 164.5
[M+CH3COO]- 237.124461 184.8
[M+Na-2H]- 199.085276 145.4
[M]+ 178.11006142 137.2
[M]- 178.11115858 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

No literature data available for this compound.

Patent stripe

patents stripe