CID 44974

N-amyl-n-butylsulfonylcarbamate, sodium salt

Structural Information

Molecular Formula
C10H21NO4S
SMILES
CCCCCOC(=O)NS(=O)(=O)CCCC
InChI
InChI=1S/C10H21NO4S/c1-3-5-7-8-15-10(12)11-16(13,14)9-6-4-2/h3-9H2,1-2H3,(H,11,12)
InChIKey
CKCLHRKBGBSNDS-UHFFFAOYSA-N
Compound name
pentyl N-butylsulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.11913 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12641 157.7
[M+Na]+ 274.10835 162.9
[M-H]- 250.11185 157.4
[M+NH4]+ 269.15295 175.0
[M+K]+ 290.08229 161.2
[M+H-H2O]+ 234.11639 151.7
[M+HCOO]- 296.11733 174.6
[M+CH3COO]- 310.13298 193.1
[M+Na-2H]- 272.09380 159.4
[M]+ 251.11858 163.9
[M]- 251.11968 163.9
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.