CID 20551531

1699946-52-5

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]+ 130.04335 122.7
[M+Na]+ 152.02529 133.8
[M-H]- 128.02879 122.0
[M+NH4]+ 147.06989 143.0
[M+K]+ 167.99923 130.9
[M+H-H2O]+ 112.03333 116.5
[M+HCOO]- 174.03427 139.3
[M+CH3COO]- 188.04992 166.2
[M+Na-2H]- 150.01074 125.9
[M]+ 129.03552 123.2
[M]- 129.03662 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