CID 106669

Dodecyl diethylsulfamate

Structural Information

Molecular Formula
C16H35NO3S
SMILES
CCCCCCCCCCCCOS(=O)(=O)N(CC)CC
InChI
InChI=1S/C16H35NO3S/c1-4-7-8-9-10-11-12-13-14-15-16-20-21(18,19)17(5-2)6-3/h4-16H2,1-3H3
InChIKey
GLYIJLJVXUQVSN-UHFFFAOYSA-N
Compound name
dodecyl N,N-diethylsulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.23376 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.24104 181.7
[M+Na]+ 344.22298 184.6
[M-H]- 320.22648 181.7
[M+NH4]+ 339.26758 197.0
[M+K]+ 360.19692 182.5
[M+H-H2O]+ 304.23102 174.5
[M+HCOO]- 366.23196 197.8
[M+CH3COO]- 380.24761 213.8
[M+Na-2H]- 342.20843 180.9
[M]+ 321.23321 191.6
[M]- 321.23431 191.6
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.