CID 40162

Brn 2254961

Structural Information

Molecular Formula

C₉H₁₉NO₃S

SMILES

CCCN(CCC)C(=O)S(=O)(=O)CC

InChI

InChI=1S/C9H19NO3S/c1-4-7-10(8-5-2)9(11)14(12,13)6-3/h4-8H2,1-3H3

InChIKey

UFAJMCYNUQICRB-UHFFFAOYSA-N

Compound name

1-ethylsulfonyl-N,N-dipropylformamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.10857 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	222.11585	152.3
[M+Na]+	244.09779	159.5
[M+NH4]+	239.14239	158.3
[M+K]+	260.07173	154.0
[M-H]-	220.10129	150.3
[M+Na-2H]-	242.08324	153.4
[M]+	221.10802	152.9
[M]-	221.10912	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.