CID 238575

2038-32-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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

No literature data available for this compound.

Patent stripe

patents stripe