CID 222023

N-(1-phenylethyl)acetamide

Structural Information

Molecular Formula
C10H13NO
SMILES
CC(C1=CC=CC=C1)NC(=O)C
InChI
InChI=1S/C10H13NO/c1-8(11-9(2)12)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,11,12)
InChIKey
PAVMRYVMZLANOQ-UHFFFAOYSA-N
Compound name
N-(1-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

606
Patents

163.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 135.7
[M+Na]+ 186.088938 141.7
[M-H]- 162.092444 139.3
[M+NH4]+ 181.133543 156.0
[M+K]+ 202.062878 140.4
[M+H-H2O]+ 146.096980 129.7
[M+HCOO]- 208.097921 159.4
[M+CH3COO]- 222.113571 181.3
[M+Na-2H]- 184.074386 141.2
[M]+ 163.09917142 134.6
[M]- 163.10026858 134.6
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