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

251
Patents

232.16747 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.174746 158.4
[M+Na]+ 255.156688 162.2
[M-H]- 231.160194 156.3
[M+NH4]+ 250.201293 175.5
[M+K]+ 271.130628 162.3
[M+H-H2O]+ 215.164730 152.7
[M+HCOO]- 277.165671 176.9
[M+CH3COO]- 291.181321 192.1
[M+Na-2H]- 253.142136 158.0
[M]+ 232.16692142 163.2
[M]- 232.16801858 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