CID 12377256

65242-15-1

Structural Information

Molecular Formula
C9H11N3
SMILES
CC(C)C1=CC(=C(N=C1)N)C#N
InChI
InChI=1S/C9H11N3/c1-6(2)8-3-7(4-10)9(11)12-5-8/h3,5-6H,1-2H3,(H2,11,12)
InChIKey
WWTCHXBZADGKGR-UHFFFAOYSA-N
Compound name
2-amino-5-propan-2-ylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

161.09529 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.102566 136.1
[M+Na]+ 184.084508 145.8
[M-H]- 160.088014 137.8
[M+NH4]+ 179.129113 153.3
[M+K]+ 200.058448 143.4
[M+H-H2O]+ 144.092550 123.0
[M+HCOO]- 206.093491 155.0
[M+CH3COO]- 220.109141 194.6
[M+Na-2H]- 182.069956 140.4
[M]+ 161.09474142 129.7
[M]- 161.09583858 129.7
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