CID 64587

116943-56-7

Structural Information

Molecular Formula
C13H21ClN2O4S
SMILES
C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)NC(=O)OCCCl
InChI
InChI=1S/C13H21ClN2O4S/c14-1-2-20-12(17)15-21(18,19)16-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11,16H,1-8H2,(H,15,17)
InChIKey
COMMQFBYMKZQKX-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(1-adamantylsulfamoyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09106 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09834 166.2
[M+Na]+ 359.08028 171.4
[M+NH4]+ 354.12488 176.2
[M+K]+ 375.05422 162.6
[M-H]- 335.08378 162.0
[M+Na-2H]- 357.06573 162.8
[M]+ 336.09051 166.2
[M]- 336.09161 166.2
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.