CID 9793709

18686-81-2

Structural Information

Molecular Formula
CH2N4S
SMILES
C1(=S)NNN=N1
InChI
InChI=1S/CH2N4S/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)
InChIKey
JAAIPIWKKXCNOC-UHFFFAOYSA-N
Compound name
1,2-dihydrotetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14518
Patents

102.000015 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.00729 114.9
[M+Na]+ 124.98923 126.1
[M-H]- 100.99274 111.5
[M+NH4]+ 120.03384 133.9
[M+K]+ 140.96317 122.8
[M+H-H2O]+ 84.997275 108.4
[M+HCOO]- 146.99822 129.7
[M+CH3COO]- 161.01387 128.1
[M+Na-2H]- 122.97468 119.5
[M]+ 101.99947 112.5
[M]- 102.00056 112.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe