CID 4383937

Diethyl 2-allyl-2-methylmalonate

Structural Information

Molecular Formula
C11H18O4
SMILES
CCOC(=O)C(C)(CC=C)C(=O)OCC
InChI
InChI=1S/C11H18O4/c1-5-8-11(4,9(12)14-6-2)10(13)15-7-3/h5H,1,6-8H2,2-4H3
InChIKey
CWGGTBZQRNZEEF-UHFFFAOYSA-N
Compound name
diethyl 2-methyl-2-prop-2-enylpropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

214.12051 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.12779 148.6
[M+Na]+ 237.10973 154.8
[M-H]- 213.11323 148.7
[M+NH4]+ 232.15433 167.5
[M+K]+ 253.08367 154.8
[M+H-H2O]+ 197.11777 144.0
[M+HCOO]- 259.11871 169.0
[M+CH3COO]- 273.13436 188.1
[M+Na-2H]- 235.09518 151.7
[M]+ 214.11996 153.7
[M]- 214.12106 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe