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

12
Patents

141.03607 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04335 125.4
[M+Na]+ 164.02529 137.9
[M+NH4]+ 159.06989 134.2
[M+K]+ 179.99923 130.0
[M-H]- 140.02879 127.5
[M+Na-2H]- 162.01074 132.3
[M]+ 141.03552 128.1
[M]- 141.03662 128.1
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