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]+ 142.04335 124.4
[M+Na]+ 164.02529 135.3
[M-H]- 140.02879 126.0
[M+NH4]+ 159.06989 144.0
[M+K]+ 179.99923 131.8
[M+H-H2O]+ 124.03333 118.1
[M+HCOO]- 186.03427 142.9
[M+CH3COO]- 200.04992 174.0
[M+Na-2H]- 162.01074 129.1
[M]+ 141.03552 124.3
[M]- 141.03662 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.