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

13
Patents

221.07217 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.079446 146.5
[M+Na]+ 244.061388 152.9
[M-H]- 220.064894 148.3
[M+NH4]+ 239.105993 165.5
[M+K]+ 260.035328 153.0
[M+H-H2O]+ 204.069430 141.1
[M+HCOO]- 266.070371 163.7
[M+CH3COO]- 280.086021 190.4
[M+Na-2H]- 242.046836 147.7
[M]+ 221.07162142 152.1
[M]- 221.07271858 152.1
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