CID 58296336

89853-27-0

Structural Information

Molecular Formula
C7H8N4S
SMILES
CC1=C(C(=NC(=N1)SC)N)C#N
InChI
InChI=1S/C7H8N4S/c1-4-5(3-8)6(9)11-7(10-4)12-2/h1-2H3,(H2,9,10,11)
InChIKey
RDUGFVVYQOPZGG-UHFFFAOYSA-N
Compound name
4-amino-6-methyl-2-methylsulfanylpyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

180.04697 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05425 137.4
[M+Na]+ 203.03619 148.8
[M-H]- 179.03969 138.6
[M+NH4]+ 198.08079 153.5
[M+K]+ 219.01013 146.3
[M+H-H2O]+ 163.04423 124.0
[M+HCOO]- 225.04517 151.5
[M+CH3COO]- 239.06082 195.3
[M+Na-2H]- 201.02164 140.2
[M]+ 180.04642 133.6
[M]- 180.04752 133.6
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

No patent data available for this compound.