CID 17060530

151519-23-2

Structural Information

Molecular Formula
C6H11N3S
SMILES
CC1=NNC(=S)N1C(C)C
InChI
InChI=1S/C6H11N3S/c1-4(2)9-5(3)7-8-6(9)10/h4H,1-3H3,(H,8,10)
InChIKey
VASORQSEVCDPBL-UHFFFAOYSA-N
Compound name
3-methyl-4-propan-2-yl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

157.06737 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07465 131.5
[M+Na]+ 180.05659 142.3
[M-H]- 156.06009 131.0
[M+NH4]+ 175.10119 151.0
[M+K]+ 196.03053 139.2
[M+H-H2O]+ 140.06463 125.3
[M+HCOO]- 202.06557 146.4
[M+CH3COO]- 216.08122 174.2
[M+Na-2H]- 178.04204 131.9
[M]+ 157.06682 132.5
[M]- 157.06792 132.5
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