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]+ 215.12779 149.0
[M+Na]+ 237.10973 154.4
[M-H]- 213.11323 153.1
[M+NH4]+ 232.15433 168.4
[M+K]+ 253.08367 156.3
[M+H-H2O]+ 197.11777 144.7
[M+HCOO]- 259.11871 168.0
[M+CH3COO]- 273.13436 185.3
[M+Na-2H]- 235.09518 152.8
[M]+ 214.11996 152.0
[M]- 214.12106 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.