CID 70143

N-phenethylacetamide

Structural Information

Molecular Formula
C10H13NO
SMILES
CC(=O)NCCC1=CC=CC=C1
InChI
InChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)
InChIKey
MODKMHXGCGKTLE-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

1054
Patents

163.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 135.3
[M+Na]+ 186.088938 141.5
[M-H]- 162.092444 138.7
[M+NH4]+ 181.133543 155.6
[M+K]+ 202.062878 139.7
[M+H-H2O]+ 146.096980 129.2
[M+HCOO]- 208.097921 160.0
[M+CH3COO]- 222.113571 180.5
[M+Na-2H]- 184.074386 142.0
[M]+ 163.09917142 134.8
[M]- 163.10026858 134.8
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