CID 59486

4-amino-3-phenylbutanamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.11061 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 140.5
[M+Na]+ 201.09983 145.4
[M-H]- 177.10333 142.8
[M+NH4]+ 196.14443 159.0
[M+K]+ 217.07377 143.4
[M+H-H2O]+ 161.10787 133.9
[M+HCOO]- 223.10881 163.9
[M+CH3COO]- 237.12446 185.7
[M+Na-2H]- 199.08528 144.0
[M]+ 178.11006 136.6
[M]- 178.11116 136.6
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.