CID 48208

66859-64-1

Structural Information

Molecular Formula
C12H25NO3S
SMILES
CCC(CC)(C(=O)N(CC)CC)S(=O)(=O)CC
InChI
InChI=1S/C12H25NO3S/c1-6-12(7-2,17(15,16)10-5)11(14)13(8-3)9-4/h6-10H2,1-5H3
InChIKey
XFTZEGPVTVNRTP-UHFFFAOYSA-N
Compound name
N,N,2-triethyl-2-ethylsulfonylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15552 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.16280 162.0
[M+Na]+ 286.14474 167.1
[M-H]- 262.14824 163.3
[M+NH4]+ 281.18934 179.7
[M+K]+ 302.11868 166.4
[M+H-H2O]+ 246.15278 156.5
[M+HCOO]- 308.15372 177.1
[M+CH3COO]- 322.16937 201.5
[M+Na-2H]- 284.13019 163.2
[M]+ 263.15497 168.6
[M]- 263.15607 168.6
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.