CID 3088075

2-chloroethyl ((pentylamino)sulfonyl)carbamate

Structural Information

Molecular Formula
C8H17ClN2O4S
SMILES
CCCCCNS(=O)(=O)NC(=O)OCCCl
InChI
InChI=1S/C8H17ClN2O4S/c1-2-3-4-6-10-16(13,14)11-8(12)15-7-5-9/h10H,2-7H2,1H3,(H,11,12)
InChIKey
QLVAPCGMTLBDNL-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(pentylsulfamoyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.05975 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06703 157.5
[M+Na]+ 295.04897 163.2
[M-H]- 271.05247 157.5
[M+NH4]+ 290.09357 174.3
[M+K]+ 311.02291 159.9
[M+H-H2O]+ 255.05701 152.5
[M+HCOO]- 317.05795 171.5
[M+CH3COO]- 331.07360 195.9
[M+Na-2H]- 293.03442 160.4
[M]+ 272.05920 163.8
[M]- 272.06030 163.8
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.