CID 44153735

165038-54-0

Structural Information

Molecular Formula
C11H22O5
SMILES
CCCOCC(C)OCC(C)OCC(=O)O
InChI
InChI=1S/C11H22O5/c1-4-5-14-6-9(2)15-7-10(3)16-8-11(12)13/h9-10H,4-8H2,1-3H3,(H,12,13)
InChIKey
XHXCJROXVQELNI-UHFFFAOYSA-N
Compound name
2-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

243
Patents

234.14673 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15401 156.2
[M+Na]+ 257.13595 160.3
[M-H]- 233.13945 154.2
[M+NH4]+ 252.18055 173.1
[M+K]+ 273.10989 161.1
[M+H-H2O]+ 217.14399 150.4
[M+HCOO]- 279.14493 175.2
[M+CH3COO]- 293.16058 191.2
[M+Na-2H]- 255.12140 156.4
[M]+ 234.14618 162.1
[M]- 234.14728 162.1
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