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

92
Patents

163.0667 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.073976 134.0
[M+Na]+ 186.055918 140.7
[M-H]- 162.059424 137.5
[M+NH4]+ 181.100523 156.5
[M+K]+ 202.029858 139.4
[M+H-H2O]+ 146.063960 129.1
[M+HCOO]- 208.064901 152.2
[M+CH3COO]- 222.080551 174.4
[M+Na-2H]- 184.041366 137.2
[M]+ 163.06615142 133.1
[M]- 163.06724858 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