CID 20551531

1-ethyl-1h-1,2,3-triazole-5-thiol

Structural Information

Molecular Formula
C4H7N3S
SMILES
CCN1C(=S)C=NN1
InChI
InChI=1S/C4H7N3S/c1-2-7-4(8)3-5-6-7/h3,6H,2H2,1H3
InChIKey
ONQURCZBXBZQRS-UHFFFAOYSA-N
Compound name
3-ethyl-2H-triazole-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

129.03607 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.043346 122.7
[M+Na]+ 152.025288 133.8
[M-H]- 128.028794 122.0
[M+NH4]+ 147.069893 143.0
[M+K]+ 167.999228 130.9
[M+H-H2O]+ 112.033330 116.5
[M+HCOO]- 174.034271 139.3
[M+CH3COO]- 188.049921 166.2
[M+Na-2H]- 150.010736 125.9
[M]+ 129.03552142 123.2
[M]- 129.03661858 123.2
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