CID 3017736

2,5-dihydro-5-thioxo-1h-tetrazole-1-methanesulphonic acid

Structural Information

Molecular Formula
C2H4N4O3S2
SMILES
C(N1C(=S)N=NN1)S(=O)(=O)O
InChI
InChI=1S/C2H4N4O3S2/c7-11(8,9)1-6-2(10)3-4-5-6/h1H2,(H,3,5,10)(H,7,8,9)
InChIKey
NLDLXEAUMGUSPX-UHFFFAOYSA-N
Compound name
(5-sulfanylidene-2H-tetrazol-1-yl)methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
Patents

195.97249 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.97977 137.3
[M+Na]+ 218.96171 149.1
[M-H]- 194.96521 134.1
[M+NH4]+ 214.00631 152.6
[M+K]+ 234.93565 144.3
[M+H-H2O]+ 178.96975 131.8
[M+HCOO]- 240.97069 145.6
[M+CH3COO]- 254.98634 170.8
[M+Na-2H]- 216.94716 139.0
[M]+ 195.97194 138.4
[M]- 195.97304 138.4
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