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]+ 169.079386 134.0
[M+Na]+ 191.061328 146.5
[M-H]- 167.064834 138.6
[M+NH4]+ 186.105933 149.6
[M+K]+ 207.035268 141.1
[M+H-H2O]+ 151.069370 127.6
[M+HCOO]- 213.070311 151.1
[M+CH3COO]- 227.085961 147.4
[M+Na-2H]- 189.046776 134.5
[M]+ 168.07156142 137.1
[M]- 168.07265858 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.