CID 22714262

Ethyl 3-(dimethylamino)-2-methanesulfonylprop-2-enoate

Structural Information

Molecular Formula
C8H15NO4S
SMILES
CCOC(=O)/C(=C/N(C)C)/S(=O)(=O)C
InChI
InChI=1S/C8H15NO4S/c1-5-13-8(10)7(6-9(2)3)14(4,11)12/h6H,5H2,1-4H3/b7-6-
InChIKey
UTVQCCZJZHIKOI-SREVYHEPSA-N
Compound name
ethyl (Z)-3-(dimethylamino)-2-methylsulfonylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

221.07217 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07945 150.1
[M+Na]+ 244.06139 156.6
[M+NH4]+ 239.10599 155.2
[M+K]+ 260.03533 152.7
[M-H]- 220.06489 147.1
[M+Na-2H]- 242.04684 150.6
[M]+ 221.07162 150.1
[M]- 221.07272 150.1
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

patents stripe