CID 4962443

853723-97-4

Structural Information

Molecular Formula
C8H11N3S
SMILES
C1CC1C2=NNC(=S)N2C3CC3
InChI
InChI=1S/C8H11N3S/c12-8-10-9-7(5-1-2-5)11(8)6-3-4-6/h5-6H,1-4H2,(H,10,12)
InChIKey
POEHKVJDADUKKD-UHFFFAOYSA-N
Compound name
3,4-dicyclopropyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

181.06737 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.074646 152.5
[M+Na]+ 204.056588 162.6
[M-H]- 180.060094 157.6
[M+NH4]+ 199.101193 159.4
[M+K]+ 220.030528 157.5
[M+H-H2O]+ 164.064630 145.5
[M+HCOO]- 226.065571 166.6
[M+CH3COO]- 240.081221 162.0
[M+Na-2H]- 202.042036 151.3
[M]+ 181.06682142 155.2
[M]- 181.06791858 155.2
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