CID 747584

98694-74-7

Structural Information

Molecular Formula
C9H12N4
SMILES
CC1=CC(=C(C(=N1)N)C#N)N(C)C
InChI
InChI=1S/C9H12N4/c1-6-4-8(13(2)3)7(5-10)9(11)12-6/h4H,1-3H3,(H2,11,12)
InChIKey
ZTOUFFDGAYTPDW-UHFFFAOYSA-N
Compound name
2-amino-4-(dimethylamino)-6-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.1062 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.113476 139.6
[M+Na]+ 199.095418 149.4
[M-H]- 175.098924 142.6
[M+NH4]+ 194.140023 156.7
[M+K]+ 215.069358 148.1
[M+H-H2O]+ 159.103460 126.0
[M+HCOO]- 221.104401 160.6
[M+CH3COO]- 235.120051 202.5
[M+Na-2H]- 197.080866 143.8
[M]+ 176.10565142 134.4
[M]- 176.10674858 134.4
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

No patent data available for this compound.