CID 16789981

3-amino-n-methyl-n-phenylpropanamide hydrochloride

Structural Information

Molecular Formula
C10H14N2O
SMILES
CN(C1=CC=CC=C1)C(=O)CCN
InChI
InChI=1S/C10H14N2O/c1-12(10(13)7-8-11)9-5-3-2-4-6-9/h2-6H,7-8,11H2,1H3
InChIKey
DVBJRCJZHINEGR-UHFFFAOYSA-N
Compound name
3-amino-N-methyl-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.11061 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 139.9
[M+Na]+ 201.09983 145.4
[M-H]- 177.10333 144.3
[M+NH4]+ 196.14443 159.6
[M+K]+ 217.07377 144.6
[M+H-H2O]+ 161.10787 133.1
[M+HCOO]- 223.10881 165.5
[M+CH3COO]- 237.12446 188.2
[M+Na-2H]- 199.08528 145.1
[M]+ 178.11006 138.9
[M]- 178.11116 138.9
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.