CID 20311688

3308-01-8

Structural Information

Molecular Formula
C7H7N3
SMILES
CC1=C(C=C(C=N1)C#N)N
InChI
InChI=1S/C7H7N3/c1-5-7(9)2-6(3-8)4-10-5/h2,4H,9H2,1H3
InChIKey
MWTRDJRVPIKZGV-UHFFFAOYSA-N
Compound name
5-amino-6-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

133.064 Da
Monoisotopic Mass

0.3
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

No literature data available for this compound.

Patent stripe

patents stripe