CID 7131396

1-(propan-2-yl)-1h-1,2,3,4-tetrazole-5-thiol

Structural Information

Molecular Formula
C4H8N4S
SMILES
CC(C)N1C(=S)N=NN1
InChI
InChI=1S/C4H8N4S/c1-3(2)8-4(9)5-6-7-8/h3H,1-2H3,(H,5,7,9)
InChIKey
SANFJGZEVHYFAL-UHFFFAOYSA-N
Compound name
1-propan-2-yl-2H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

144.04697 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.054246 127.5
[M+Na]+ 167.036188 138.4
[M-H]- 143.039694 125.5
[M+NH4]+ 162.080793 145.8
[M+K]+ 183.010128 135.7
[M+H-H2O]+ 127.044230 120.6
[M+HCOO]- 189.045171 141.7
[M+CH3COO]- 203.060821 170.1
[M+Na-2H]- 165.021636 129.4
[M]+ 144.04642142 127.9
[M]- 144.04751858 127.9
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