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

2
Patents

181.06737 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07465 152.5
[M+Na]+ 204.05659 162.6
[M-H]- 180.06009 157.6
[M+NH4]+ 199.10119 159.4
[M+K]+ 220.03053 157.5
[M+H-H2O]+ 164.06463 145.5
[M+HCOO]- 226.06557 166.6
[M+CH3COO]- 240.08122 162.0
[M+Na-2H]- 202.04204 151.3
[M]+ 181.06682 155.2
[M]- 181.06792 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