CID 43163672

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

Structural Information

Molecular Formula
C7H12N4O2S
SMILES
CS(=O)(=O)C1=NN=NN1C2CCCC2
InChI
InChI=1S/C7H12N4O2S/c1-14(12,13)7-8-9-10-11(7)6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKey
ZGNQLXAODYTLRV-UHFFFAOYSA-N
Compound name
1-cyclopentyl-5-methylsulfonyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.0681 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07538 147.3
[M+Na]+ 239.05732 157.2
[M-H]- 215.06082 149.8
[M+NH4]+ 234.10192 164.7
[M+K]+ 255.03126 155.6
[M+H-H2O]+ 199.06536 140.0
[M+HCOO]- 261.06630 161.8
[M+CH3COO]- 275.08195 181.0
[M+Na-2H]- 237.04277 147.9
[M]+ 216.06755 148.5
[M]- 216.06865 148.5
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

No patent data available for this compound.