CID 139597427

Ns00077671

Structural Information

Molecular Formula
C8H14O5
SMILES
C1C(OCO1)CCOC2COCO2
InChI
InChI=1S/C8H14O5/c1(7-3-9-5-12-7)2-11-8-4-10-6-13-8/h7-8H,1-6H2
InChIKey
VBBXRGQUWWYKGS-UHFFFAOYSA-N
Compound name
4-[2-(1,3-dioxolan-4-yl)ethoxy]-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08412 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.091396 138.5
[M+Na]+ 213.073338 143.2
[M-H]- 189.076844 146.4
[M+NH4]+ 208.117943 155.3
[M+K]+ 229.047278 148.0
[M+H-H2O]+ 173.081380 134.6
[M+HCOO]- 235.082321 157.5
[M+CH3COO]- 249.097971 177.3
[M+Na-2H]- 211.058786 144.5
[M]+ 190.08357142 140.8
[M]- 190.08466858 140.8
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.