CID 1488224

858135-91-8

Structural Information

Molecular Formula

C₆H₁₀N₂O₂S

SMILES

CN(C)/C=C(\C#N)/S(=O)(=O)C

InChI

InChI=1S/C6H10N2O2S/c1-8(2)5-6(4-7)11(3,9)10/h5H,1-3H3/b6-5+

InChIKey

YGCYQSVPXXQVCC-AATRIKPKSA-N

Compound name

(E)-3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 174.0463 Da
Monoisotopic Mass: -0.2
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]+	175.053576	142.0
[M+Na]+	197.035518	150.9
[M-H]-	173.039024	144.9
[M+NH4]+	192.080123	161.0
[M+K]+	213.009458	151.3
[M+H-H2O]+	157.043560	130.4
[M+HCOO]-	219.044501	156.9
[M+CH3COO]-	233.060151	194.4
[M+Na-2H]-	195.020966	144.3
[M]+	174.04575142	139.9
[M]-	174.04684858	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe