CID 22253225

102082-91-7

Structural Information

Molecular Formula
C12H24O4
SMILES
CC(COC(C)COC(C)COCC=C)O
InChI
InChI=1S/C12H24O4/c1-5-6-14-8-11(3)16-9-12(4)15-7-10(2)13/h5,10-13H,1,6-9H2,2-4H3
InChIKey
CEYWPSGEISUBHO-UHFFFAOYSA-N
Compound name
1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

232.16747 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.17475 158.4
[M+Na]+ 255.15669 162.2
[M-H]- 231.16019 156.3
[M+NH4]+ 250.20129 175.5
[M+K]+ 271.13063 162.3
[M+H-H2O]+ 215.16473 152.7
[M+HCOO]- 277.16567 176.9
[M+CH3COO]- 291.18132 192.1
[M+Na-2H]- 253.14214 158.0
[M]+ 232.16692 163.2
[M]- 232.16802 163.2
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