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: 8
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]+	175.05358	135.2
[M+Na]+	197.03552	143.0
[M+NH4]+	192.08012	138.6
[M+K]+	213.00946	135.3
[M-H]-	173.03902	126.9
[M+Na-2H]-	195.02097	135.5
[M]+	174.04575	133.2
[M]-	174.04685	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe