CID 94895

N-benzyl-2-methylpropanamide

Structural Information

Molecular Formula
C11H15NO
SMILES
CC(C)C(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C11H15NO/c1-9(2)11(13)12-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)
InChIKey
QHQKYJAIOSKSFL-UHFFFAOYSA-N
Compound name
N-benzyl-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

551
Patents

177.11537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 140.7
[M+Na]+ 200.10459 151.9
[M+NH4]+ 195.14919 149.0
[M+K]+ 216.07853 145.7
[M-H]- 176.10809 143.2
[M+Na-2H]- 198.09004 147.3
[M]+ 177.11482 142.8
[M]- 177.11592 142.8
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