CID 48102

N-ethyl-n-(1-phenylethyl)acetamide

Structural Information

Molecular Formula
C12H17NO
SMILES
CCN(C(C)C1=CC=CC=C1)C(=O)C
InChI
InChI=1S/C12H17NO/c1-4-13(11(3)14)10(2)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3
InChIKey
VELYNJNBQPPHCZ-UHFFFAOYSA-N
Compound name
N-ethyl-N-(1-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.13101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 144.7
[M+Na]+ 214.12023 150.0
[M-H]- 190.12373 149.4
[M+NH4]+ 209.16483 164.5
[M+K]+ 230.09417 149.6
[M+H-H2O]+ 174.12827 138.1
[M+HCOO]- 236.12921 168.3
[M+CH3COO]- 250.14486 190.9
[M+Na-2H]- 212.10568 148.3
[M]+ 191.13046 145.6
[M]- 191.13156 145.6
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

patents stripe