CID 3034475

Oxirane, 2,2'-(oxybis((methyl-2,1-ethanediyl)oxymethylene))bis-

Structural Information

Molecular Formula
C12H22O5
SMILES
CC(COCC(C)OCC1CO1)OCC2CO2
InChI
InChI=1S/C12H22O5/c1-9(14-5-11-7-16-11)3-13-4-10(2)15-6-12-8-17-12/h9-12H,3-8H2,1-2H3
InChIKey
UCLPDTOWSOHLJX-UHFFFAOYSA-N
Compound name
2-[1-[2-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxymethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

48
Patents

246.14673 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15401 164.3
[M+Na]+ 269.13595 169.7
[M-H]- 245.13945 172.1
[M+NH4]+ 264.18055 168.5
[M+K]+ 285.10989 171.6
[M+H-H2O]+ 229.14399 156.9
[M+HCOO]- 291.14493 180.8
[M+CH3COO]- 305.16058 204.4
[M+Na-2H]- 267.12140 166.8
[M]+ 246.14618 175.1
[M]- 246.14728 175.1
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