CID 55252983

6-amino-3-methylpyridine-2-carbonitrile

Structural Information

Molecular Formula
C7H7N3
SMILES
CC1=C(N=C(C=C1)N)C#N
InChI
InChI=1S/C7H7N3/c1-5-2-3-7(9)10-6(5)4-8/h2-3H,1H3,(H2,9,10)
InChIKey
NCWREJYHPBUAKT-UHFFFAOYSA-N
Compound name
6-amino-3-methylpyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

133.064 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.071276 126.8
[M+Na]+ 156.053218 137.5
[M-H]- 132.056724 128.7
[M+NH4]+ 151.097823 145.0
[M+K]+ 172.027158 135.1
[M+H-H2O]+ 116.061260 114.1
[M+HCOO]- 178.062201 147.2
[M+CH3COO]- 192.077851 188.4
[M+Na-2H]- 154.038666 133.3
[M]+ 133.06345142 120.4
[M]- 133.06454858 120.4
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