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 146.5
[M+Na]+ 244.06139 152.9
[M-H]- 220.06489 148.3
[M+NH4]+ 239.10599 165.5
[M+K]+ 260.03533 153.0
[M+H-H2O]+ 204.06943 141.1
[M+HCOO]- 266.07037 163.7
[M+CH3COO]- 280.08602 190.4
[M+Na-2H]- 242.04684 147.7
[M]+ 221.07162 152.1
[M]- 221.07272 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