CID 799038

N-cyclopentylmethanesulfonamide

Structural Information

Molecular Formula
C6H13NO2S
SMILES
CS(=O)(=O)NC1CCCC1
InChI
InChI=1S/C6H13NO2S/c1-10(8,9)7-6-4-2-3-5-6/h6-7H,2-5H2,1H3
InChIKey
IJXUJLYIQLLJEP-UHFFFAOYSA-N
Compound name
N-cyclopentylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

163.0667 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07398 134.0
[M+Na]+ 186.05592 140.7
[M-H]- 162.05942 137.5
[M+NH4]+ 181.10052 156.5
[M+K]+ 202.02986 139.4
[M+H-H2O]+ 146.06396 129.1
[M+HCOO]- 208.06490 152.2
[M+CH3COO]- 222.08055 174.4
[M+Na-2H]- 184.04137 137.2
[M]+ 163.06615 133.1
[M]- 163.06725 133.1
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