CID 3042289

1,2,4-triazolidine-3-thione, 2,5,5-trimethyl-

Structural Information

Molecular Formula
C5H11N3S
SMILES
CC1(NC(=S)N(N1)C)C
InChI
InChI=1S/C5H11N3S/c1-5(2)6-4(9)8(3)7-5/h7H,1-3H3,(H,6,9)
InChIKey
ZQPPLTTUXRJVLP-UHFFFAOYSA-N
Compound name
2,5,5-trimethyl-1,2,4-triazolidine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.06737 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.07465 129.2
[M+Na]+ 168.05659 138.9
[M-H]- 144.06009 126.7
[M+NH4]+ 163.10119 150.1
[M+K]+ 184.03053 135.6
[M+H-H2O]+ 128.06463 124.2
[M+HCOO]- 190.06557 141.0
[M+CH3COO]- 204.08122 168.0
[M+Na-2H]- 166.04204 130.3
[M]+ 145.06682 126.1
[M]- 145.06792 126.1
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.