CID 2776276

1h-imidazole-4-thiocarboxamide

Structural Information

Molecular Formula
C4H5N3S
SMILES
C1=C(NC=N1)C(=S)N
InChI
InChI=1S/C4H5N3S/c5-4(8)3-1-6-2-7-3/h1-2H,(H2,5,8)(H,6,7)
InChIKey
CUOPCGNBQZKKNU-UHFFFAOYSA-N
Compound name
1H-imidazole-5-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

127.02042 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.02770 122.8
[M+Na]+ 150.00964 131.7
[M-H]- 126.01314 122.6
[M+NH4]+ 145.05424 143.4
[M+K]+ 165.98358 128.7
[M+H-H2O]+ 110.01768 116.5
[M+HCOO]- 172.01862 140.0
[M+CH3COO]- 186.03427 167.0
[M+Na-2H]- 147.99509 125.3
[M]+ 127.01987 120.0
[M]- 127.02097 120.0
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