CID 221995

6283-13-2

Structural Information

Molecular Formula
C12H17NO
SMILES
CCCC(=O)NCCC1=CC=CC=C1
InChI
InChI=1S/C12H17NO/c1-2-6-12(14)13-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,13,14)
InChIKey
ZIOZMZMOOGVIFG-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

72
Patents

191.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 144.6
[M+Na]+ 214.12023 149.9
[M-H]- 190.12373 147.7
[M+NH4]+ 209.16483 163.8
[M+K]+ 230.09417 147.6
[M+H-H2O]+ 174.12827 138.1
[M+HCOO]- 236.12921 168.7
[M+CH3COO]- 250.14486 186.5
[M+Na-2H]- 212.10568 150.2
[M]+ 191.13046 144.9
[M]- 191.13156 144.9
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.