CID 75478875

Ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate

Structural Information

Molecular Formula
C12H22O3
SMILES
CCOC(=O)CC1CC(OC1(C)C)(C)C
InChI
InChI=1S/C12H22O3/c1-6-14-10(13)7-9-8-11(2,3)15-12(9,4)5/h9H,6-8H2,1-5H3
InChIKey
IPVBSPQFHKAZPQ-UHFFFAOYSA-N
Compound name
ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.15689 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.16417 145.7
[M+Na]+ 237.14611 153.5
[M-H]- 213.14961 150.1
[M+NH4]+ 232.19071 169.4
[M+K]+ 253.12005 154.2
[M+H-H2O]+ 197.15415 142.9
[M+HCOO]- 259.15509 166.1
[M+CH3COO]- 273.17074 188.1
[M+Na-2H]- 235.13156 149.7
[M]+ 214.15634 149.6
[M]- 214.15744 149.6
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.