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

47
Patents

246.14673 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.154006 164.3
[M+Na]+ 269.135948 169.7
[M-H]- 245.139454 172.1
[M+NH4]+ 264.180553 168.5
[M+K]+ 285.109888 171.6
[M+H-H2O]+ 229.143990 156.9
[M+HCOO]- 291.144931 180.8
[M+CH3COO]- 305.160581 204.4
[M+Na-2H]- 267.121396 166.8
[M]+ 246.14618142 175.1
[M]- 246.14727858 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