CID 97664

5-(methylthio)-1h-tetrazole

Structural Information

Molecular Formula
C2H4N4S
SMILES
CSC1=NNN=N1
InChI
InChI=1S/C2H4N4S/c1-7-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
InChIKey
ZBXNFTFKKOSPLD-UHFFFAOYSA-N
Compound name
5-methylsulfanyl-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

967
Patents

116.01567 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.02295 118.5
[M+Na]+ 139.00489 129.4
[M-H]- 115.00839 116.3
[M+NH4]+ 134.04949 137.6
[M+K]+ 154.97883 127.5
[M+H-H2O]+ 99.012930 111.5
[M+HCOO]- 161.01387 134.3
[M+CH3COO]- 175.02952 132.0
[M+Na-2H]- 136.99034 123.2
[M]+ 116.01512 119.0
[M]- 116.01622 119.0
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