CID 4156263

7451-78-7

Structural Information

Molecular Formula
C5H7N3S
SMILES
CN1C(=CC=NC1=S)N
InChI
InChI=1S/C5H7N3S/c1-8-4(6)2-3-7-5(8)9/h2-3H,6H2,1H3
InChIKey
MCRNXSFNUQWYOS-UHFFFAOYSA-N
Compound name
6-amino-1-methylpyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.03607 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.043346 124.4
[M+Na]+ 164.025288 135.3
[M-H]- 140.028794 126.0
[M+NH4]+ 159.069893 144.0
[M+K]+ 179.999228 131.8
[M+H-H2O]+ 124.033330 118.1
[M+HCOO]- 186.034271 142.9
[M+CH3COO]- 200.049921 174.0
[M+Na-2H]- 162.010736 129.1
[M]+ 141.03552142 124.3
[M]- 141.03661858 124.3
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.