CID 53249860

1-methyl-1h-imidazole-2-carbothioamide

Structural Information

Molecular Formula
C5H7N3S
SMILES
CN1C=CN=C1C(=S)N
InChI
InChI=1S/C5H7N3S/c1-8-3-2-7-5(8)4(6)9/h2-3H,1H3,(H2,6,9)
InChIKey
NHPINUWBFXVBKO-UHFFFAOYSA-N
Compound name
1-methylimidazole-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.03607 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.043346 126.7
[M+Na]+ 164.025288 136.5
[M-H]- 140.028794 128.1
[M+NH4]+ 159.069893 147.8
[M+K]+ 179.999228 134.1
[M+H-H2O]+ 124.033330 120.3
[M+HCOO]- 186.034271 145.0
[M+CH3COO]- 200.049921 173.7
[M+Na-2H]- 162.010736 128.4
[M]+ 141.03552142 126.5
[M]- 141.03661858 126.5
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.