CID 6421259

5-methanesulfonyl-1-methyl-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C3H6N4O2S
SMILES
CN1C(=NN=N1)S(=O)(=O)C
InChI
InChI=1S/C3H6N4O2S/c1-7-3(4-5-6-7)10(2,8)9/h1-2H3
InChIKey
ZQIRCVJAEAYCHL-UHFFFAOYSA-N
Compound name
1-methyl-5-methylsulfonyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

162.02115 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.02843 130.7
[M+Na]+ 185.01037 143.0
[M-H]- 161.01387 130.5
[M+NH4]+ 180.05497 148.9
[M+K]+ 200.98431 141.6
[M+H-H2O]+ 145.01841 124.1
[M+HCOO]- 207.01935 146.8
[M+CH3COO]- 221.03500 172.4
[M+Na-2H]- 182.99582 135.3
[M]+ 162.02060 134.6
[M]- 162.02170 134.6
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