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

No literature data available for this compound.

Patent stripe

patents stripe