CID 11087601

2-amino-n-(2-phenylethyl)acetamide hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

178.11061 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 139.4
[M+Na]+ 201.09983 144.8
[M-H]- 177.10333 142.2
[M+NH4]+ 196.14443 158.5
[M+K]+ 217.07377 142.5
[M+H-H2O]+ 161.10787 132.8
[M+HCOO]- 223.10881 164.5
[M+CH3COO]- 237.12446 184.8
[M+Na-2H]- 199.08528 145.4
[M]+ 178.11006 137.2
[M]- 178.11116 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

literature stripe

Patent stripe

patents stripe