CID 5463796

N-tert-butyl-3-methylpyridine-2-carboxamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

192.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.133546 144.1
[M+Na]+ 215.115488 151.4
[M-H]- 191.118994 146.7
[M+NH4]+ 210.160093 162.5
[M+K]+ 231.089428 149.7
[M+H-H2O]+ 175.123530 137.8
[M+HCOO]- 237.124471 165.7
[M+CH3COO]- 251.140121 186.9
[M+Na-2H]- 213.100936 150.4
[M]+ 192.12572142 144.4
[M]- 192.12681858 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