CID 238736

4-(methylsulfanyl)pyrimidin-2-amine

Structural Information

Molecular Formula
C5H7N3S
SMILES
CSC1=NC(=NC=C1)N
InChI
InChI=1S/C5H7N3S/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
InChIKey
DTGVQKUDTNRETI-UHFFFAOYSA-N
Compound name
4-methylsulfanylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

141.03607 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.043346 124.6
[M+Na]+ 164.025288 134.4
[M-H]- 140.028794 125.8
[M+NH4]+ 159.069893 144.0
[M+K]+ 179.999228 131.5
[M+H-H2O]+ 124.033330 118.0
[M+HCOO]- 186.034271 143.0
[M+CH3COO]- 200.049921 173.7
[M+Na-2H]- 162.010736 130.1
[M]+ 141.03552142 124.9
[M]- 141.03661858 124.9
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