CID 10104445

6-methyl-n-(3-methylbutyl)pyridine-3-carboxamide

Structural Information

Molecular Formula
C12H18N2O
SMILES
CC1=NC=C(C=C1)C(=O)NCCC(C)C
InChI
InChI=1S/C12H18N2O/c1-9(2)6-7-13-12(15)11-5-4-10(3)14-8-11/h4-5,8-9H,6-7H2,1-3H3,(H,13,15)
InChIKey
WBRKEEKIJPVBRB-UHFFFAOYSA-N
Compound name
6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

206.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 148.9
[M+Na]+ 229.13112 155.0
[M-H]- 205.13462 151.0
[M+NH4]+ 224.17572 166.4
[M+K]+ 245.10506 153.0
[M+H-H2O]+ 189.13916 141.7
[M+HCOO]- 251.14010 170.7
[M+CH3COO]- 265.15575 191.2
[M+Na-2H]- 227.11657 152.7
[M]+ 206.14135 149.5
[M]- 206.14245 149.5
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

patents stripe