CID 86775301

3-ethoxy-2-methanesulfonylpent-2-enenitrile

Structural Information

Molecular Formula
C8H13NO3S
SMILES
CC/C(=C(\C#N)/S(=O)(=O)C)/OCC
InChI
InChI=1S/C8H13NO3S/c1-4-7(12-5-2)8(6-9)13(3,10)11/h4-5H2,1-3H3/b8-7-
InChIKey
GSTVZDQYWLPACL-FPLPWBNLSA-N
Compound name
(Z)-3-ethoxy-2-methylsulfonylpent-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]+ 204.06889 140.5
[M+Na]+ 226.05083 148.3
[M+NH4]+ 221.09543 143.3
[M+K]+ 242.02477 140.6
[M-H]- 202.05433 131.0
[M+Na-2H]- 224.03628 139.9
[M]+ 203.06106 138.2
[M]- 203.06216 138.2
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.