CID 10396887

2-amino-4-methyl-nicotinonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

133.064 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07128 126.8
[M+Na]+ 156.05322 137.5
[M-H]- 132.05672 128.7
[M+NH4]+ 151.09782 145.0
[M+K]+ 172.02716 135.1
[M+H-H2O]+ 116.06126 114.1
[M+HCOO]- 178.06220 147.2
[M+CH3COO]- 192.07785 188.4
[M+Na-2H]- 154.03867 133.3
[M]+ 133.06345 120.4
[M]- 133.06455 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

literature stripe

Patent stripe

patents stripe