CID 3035711

140703-15-7

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

CCN(CC)C(=O)S(=O)C

InChI

InChI=1S/C6H13NO2S/c1-4-7(5-2)6(8)10(3)9/h4-5H2,1-3H3

InChIKey

FQSRGOGWCPXJIN-UHFFFAOYSA-N

Compound name

N,N-diethyl-1-methylsulfinylformamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 26
References: 117
Patents: 163.0667 Da
Monoisotopic Mass: 0.0
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]+	164.073976	134.2
[M+Na]+	186.055918	140.7
[M-H]-	162.059424	136.2
[M+NH4]+	181.100523	155.8
[M+K]+	202.029858	141.3
[M+H-H2O]+	146.063960	128.7
[M+HCOO]-	208.064901	152.6
[M+CH3COO]-	222.080551	181.9
[M+Na-2H]-	184.041366	135.0
[M]+	163.06615142	138.0
[M]-	163.06724858	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe