CID 129318571

1797024-50-0

Structural Information

Molecular Formula
C15H24O5
SMILES
CC(C)OCCOCC1=CC=C(C=C1)OCC(CO)O
InChI
InChI=1S/C15H24O5/c1-12(2)19-8-7-18-10-13-3-5-15(6-4-13)20-11-14(17)9-16/h3-6,12,14,16-17H,7-11H2,1-2H3
InChIKey
CDBFGJHSYVVSCA-UHFFFAOYSA-N
Compound name
3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.16238 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.169656 168.0
[M+Na]+ 307.151598 171.9
[M-H]- 283.155104 167.9
[M+NH4]+ 302.196203 182.2
[M+K]+ 323.125538 170.6
[M+H-H2O]+ 267.159640 161.0
[M+HCOO]- 329.160581 186.5
[M+CH3COO]- 343.176231 197.2
[M+Na-2H]- 305.137046 168.8
[M]+ 284.16183142 172.6
[M]- 284.16292858 172.6
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

No patent data available for this compound.