CID 4116413

Methyl 5-(2-methyl-1,3-dioxolan-2-yl)-2-methylenepentanoate

Structural Information

Molecular Formula
C11H18O4
SMILES
CC1(OCCO1)CCCC(=C)C(=O)OC
InChI
InChI=1S/C11H18O4/c1-9(10(12)13-3)5-4-6-11(2)14-7-8-15-11/h1,4-8H2,2-3H3
InChIKey
AJHWQYHJELJXSY-UHFFFAOYSA-N
Compound name
methyl 5-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenepentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12051 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.127786 149.0
[M+Na]+ 237.109728 154.4
[M-H]- 213.113234 153.1
[M+NH4]+ 232.154333 168.4
[M+K]+ 253.083668 156.3
[M+H-H2O]+ 197.117770 144.7
[M+HCOO]- 259.118711 168.0
[M+CH3COO]- 273.134361 185.3
[M+Na-2H]- 235.095176 152.8
[M]+ 214.11996142 152.0
[M]- 214.12105858 152.0
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.