CID 4377786

1193-27-7

Structural Information

Molecular Formula
C4H5N3S
SMILES
C1=CN=C(NC1=S)N
InChI
InChI=1S/C4H5N3S/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)
InChIKey
GFVZMGHCWGEFQF-UHFFFAOYSA-N
Compound name
2-amino-1H-pyrimidine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

127.02042 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.02770 120.5
[M+Na]+ 150.00964 130.5
[M-H]- 126.01314 120.4
[M+NH4]+ 145.05424 139.6
[M+K]+ 165.98358 126.3
[M+H-H2O]+ 110.01768 114.4
[M+HCOO]- 172.01862 137.8
[M+CH3COO]- 186.03427 167.3
[M+Na-2H]- 147.99509 125.9
[M]+ 127.01987 117.7
[M]- 127.02097 117.7
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