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: 9
Patents: 162.02115 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.02843	133.0
[M+Na]+	185.01037	143.7
[M+NH4]+	180.05497	138.8
[M+K]+	200.98431	140.3
[M-H]-	161.01387	130.4
[M+Na-2H]-	182.99582	136.6
[M]+	162.02060	133.9
[M]-	162.02170	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe