CID 7131465

1-cyclopropyl-1h-1,2,3,4-tetrazole-5-thiol

Structural Information

Molecular Formula
C4H6N4S
SMILES
C1CC1N2C(=S)N=NN2
InChI
InChI=1S/C4H6N4S/c9-4-5-6-7-8(4)3-1-2-3/h3H,1-2H2,(H,5,7,9)
InChIKey
GBAMURSLHHWGCH-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

142.03131 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.038586 133.6
[M+Na]+ 165.020528 146.5
[M-H]- 141.024034 135.3
[M+NH4]+ 160.065133 147.0
[M+K]+ 180.994468 141.4
[M+H-H2O]+ 125.028570 125.8
[M+HCOO]- 187.029511 149.6
[M+CH3COO]- 201.045161 146.2
[M+Na-2H]- 163.005976 136.1
[M]+ 142.03076142 135.3
[M]- 142.03185858 135.3
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