CID 2778557

(e)-3-ethoxy-2-(propane-2-sulfonyl)-acrylonitrile

Structural Information

Molecular Formula
C8H13NO3S
SMILES
CCO/C=C(\C#N)/S(=O)(=O)C(C)C
InChI
InChI=1S/C8H13NO3S/c1-4-12-6-8(5-9)13(10,11)7(2)3/h6-7H,4H2,1-3H3/b8-6+
InChIKey
CRDHNCRZANDFFU-SOFGYWHQSA-N
Compound name
(E)-3-ethoxy-2-propan-2-ylsulfonylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.06161 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.068886 148.5
[M+Na]+ 226.050828 157.2
[M-H]- 202.054334 150.1
[M+NH4]+ 221.095433 166.3
[M+K]+ 242.024768 156.8
[M+H-H2O]+ 186.058870 137.2
[M+HCOO]- 248.059811 161.1
[M+CH3COO]- 262.075461 194.9
[M+Na-2H]- 224.036276 149.5
[M]+ 203.06106142 147.6
[M]- 203.06215858 147.6
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.