CID 16227765

1-cyclopropyl-4,5-dimethyl-1h-imidazole-2-thiol

Structural Information

Molecular Formula
C8H12N2S
SMILES
CC1=C(N(C(=S)N1)C2CC2)C
InChI
InChI=1S/C8H12N2S/c1-5-6(2)10(7-3-4-7)8(11)9-5/h7H,3-4H2,1-2H3,(H,9,11)
InChIKey
QOFPLXXNKMHEBV-UHFFFAOYSA-N
Compound name
3-cyclopropyl-4,5-dimethyl-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07211 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07939 134.0
[M+Na]+ 191.06133 146.5
[M-H]- 167.06483 138.6
[M+NH4]+ 186.10593 149.6
[M+K]+ 207.03527 141.1
[M+H-H2O]+ 151.06937 127.6
[M+HCOO]- 213.07031 151.1
[M+CH3COO]- 227.08596 147.4
[M+Na-2H]- 189.04678 134.5
[M]+ 168.07156 137.1
[M]- 168.07266 137.1
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

No patent data available for this compound.