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]+ 217.075376 147.3
[M+Na]+ 239.057318 157.2
[M-H]- 215.060824 149.8
[M+NH4]+ 234.101923 164.7
[M+K]+ 255.031258 155.6
[M+H-H2O]+ 199.065360 140.0
[M+HCOO]- 261.066301 161.8
[M+CH3COO]- 275.081951 181.0
[M+Na-2H]- 237.042766 147.9
[M]+ 216.06755142 148.5
[M]- 216.06864858 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.