CID 12417595

70309-26-1

Structural Information

Molecular Formula
C3H6N4S
SMILES
C(CS)C1=NNN=N1
InChI
InChI=1S/C3H6N4S/c8-2-1-3-4-6-7-5-3/h8H,1-2H2,(H,4,5,6,7)
InChIKey
MXQNNPVWCMVPPS-UHFFFAOYSA-N
Compound name
2-(2H-tetrazol-5-yl)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

130.03131 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.038586 122.7
[M+Na]+ 153.020528 133.2
[M-H]- 129.024034 120.4
[M+NH4]+ 148.065133 141.3
[M+K]+ 168.994468 131.0
[M+H-H2O]+ 113.028570 115.5
[M+HCOO]- 175.029511 138.2
[M+CH3COO]- 189.045161 135.8
[M+Na-2H]- 151.005976 126.9
[M]+ 130.03076142 123.6
[M]- 130.03185858 123.6
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