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

32
Patents

142.03131 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03859 133.6
[M+Na]+ 165.02053 146.5
[M-H]- 141.02403 135.3
[M+NH4]+ 160.06513 147.0
[M+K]+ 180.99447 141.4
[M+H-H2O]+ 125.02857 125.8
[M+HCOO]- 187.02951 149.6
[M+CH3COO]- 201.04516 146.2
[M+Na-2H]- 163.00598 136.1
[M]+ 142.03076 135.3
[M]- 142.03186 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