CID 129318571

(2rs)-3-[4-((2-isopropoxyethoxy)methyl)phenoxy]-1,2-propanediol

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]+ 285.16966 167.2
[M+Na]+ 307.15160 176.1
[M+NH4]+ 302.19620 172.6
[M+K]+ 323.12554 171.8
[M-H]- 283.15510 166.4
[M+Na-2H]- 305.13705 169.9
[M]+ 284.16183 167.9
[M]- 284.16293 167.9
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.