CID 221634

5413-49-0

Structural Information

Molecular Formula
C10H18O4
SMILES
CCOC(=O)CCC1(OCC(O1)C)C
InChI
InChI=1S/C10H18O4/c1-4-12-9(11)5-6-10(3)13-7-8(2)14-10/h8H,4-7H2,1-3H3
InChIKey
IAZAUEBWBHMDGV-UHFFFAOYSA-N
Compound name
ethyl 3-(2,4-dimethyl-1,3-dioxolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

45
Patents

202.12051 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12779 143.9
[M+Na]+ 225.10973 150.6
[M-H]- 201.11323 148.5
[M+NH4]+ 220.15433 164.3
[M+K]+ 241.08367 152.9
[M+H-H2O]+ 185.11777 139.9
[M+HCOO]- 247.11871 164.1
[M+CH3COO]- 261.13436 183.4
[M+Na-2H]- 223.09518 149.0
[M]+ 202.11996 148.3
[M]- 202.12106 148.3
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