CID 40161

Brn 2261925

Structural Information

Molecular Formula
C11H23NO3S
SMILES
CCS(=O)(=O)C(=O)N(CC(C)C)CC(C)C
InChI
InChI=1S/C11H23NO3S/c1-6-16(14,15)11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3
InChIKey
CAHZMFURRDKKPO-UHFFFAOYSA-N
Compound name
1-ethylsulfonyl-N,N-bis(2-methylpropyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.13986 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14714 157.8
[M+Na]+ 272.12908 162.5
[M-H]- 248.13258 159.1
[M+NH4]+ 267.17368 175.8
[M+K]+ 288.10302 162.6
[M+H-H2O]+ 232.13712 152.1
[M+HCOO]- 294.13806 172.6
[M+CH3COO]- 308.15371 199.2
[M+Na-2H]- 270.11453 156.2
[M]+ 249.13931 163.2
[M]- 249.14041 163.2
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.