CID 546250

2,2-dimethyl-n-(2-phenylethyl)propanamide

Structural Information

Molecular Formula
C13H19NO
SMILES
CC(C)(C)C(=O)NCCC1=CC=CC=C1
InChI
InChI=1S/C13H19NO/c1-13(2,3)12(15)14-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)
InChIKey
WFCFPUJKBRCPGJ-UHFFFAOYSA-N
Compound name
2,2-dimethyl-N-(2-phenylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

205.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 149.6
[M+Na]+ 228.13589 160.5
[M+NH4]+ 223.18049 157.6
[M+K]+ 244.10983 154.3
[M-H]- 204.13939 151.6
[M+Na-2H]- 226.12134 156.0
[M]+ 205.14612 151.7
[M]- 205.14722 151.7
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