CID 3006140

61796-28-9

Structural Information

Molecular Formula
C5H9N3S
SMILES
CC1(C(=NC(=S)N1)N)C
InChI
InChI=1S/C5H9N3S/c1-5(2)3(6)7-4(9)8-5/h1-2H3,(H3,6,7,8,9)
InChIKey
OXQRSLPRLONNIG-UHFFFAOYSA-N
Compound name
4-amino-5,5-dimethyl-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

143.05171 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05899 126.3
[M+Na]+ 166.04093 136.5
[M-H]- 142.04443 126.4
[M+NH4]+ 161.08553 148.8
[M+K]+ 182.01487 133.2
[M+H-H2O]+ 126.04897 121.4
[M+HCOO]- 188.04991 142.6
[M+CH3COO]- 202.06556 171.4
[M+Na-2H]- 164.02638 128.6
[M]+ 143.05116 124.1
[M]- 143.05226 124.1
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