CID 3531485

86847-77-0

Structural Information

Molecular Formula
C11H16N2O
SMILES
CC1=CC(=NC=C1)NC(=O)C(C)(C)C
InChI
InChI=1S/C11H16N2O/c1-8-5-6-12-9(7-8)13-10(14)11(2,3)4/h5-7H,1-4H3,(H,12,13,14)
InChIKey
GMKUFMYZJOPWSH-UHFFFAOYSA-N
Compound name
2,2-dimethyl-N-(4-methylpyridin-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

192.12627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13355 144.1
[M+Na]+ 215.11549 151.4
[M-H]- 191.11899 146.7
[M+NH4]+ 210.16009 162.5
[M+K]+ 231.08943 149.7
[M+H-H2O]+ 175.12353 137.8
[M+HCOO]- 237.12447 165.7
[M+CH3COO]- 251.14012 186.9
[M+Na-2H]- 213.10094 150.4
[M]+ 192.12572 144.4
[M]- 192.12682 144.4
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