CID 86811733

N-(azepan-4-yl)-n-cyclobutylmethanesulfonamide hydrochloride

Structural Information

Molecular Formula
C11H22N2O2S
SMILES
CS(=O)(=O)N(C1CCC1)C2CCCNCC2
InChI
InChI=1S/C11H22N2O2S/c1-16(14,15)13(10-4-2-5-10)11-6-3-8-12-9-7-11/h10-12H,2-9H2,1H3
InChIKey
YEMRXLSTXYFRJL-UHFFFAOYSA-N
Compound name
N-(azepan-4-yl)-N-cyclobutylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1402 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14748 153.6
[M+Na]+ 269.12942 152.2
[M-H]- 245.13292 157.6
[M+NH4]+ 264.17402 161.3
[M+K]+ 285.10336 157.3
[M+H-H2O]+ 229.13746 141.2
[M+HCOO]- 291.13840 163.4
[M+CH3COO]- 305.15405 195.7
[M+Na-2H]- 267.11487 153.5
[M]+ 246.13965 154.1
[M]- 246.14075 154.1
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

No patent data available for this compound.