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 168.0
[M+Na]+ 307.15160 171.9
[M-H]- 283.15510 167.9
[M+NH4]+ 302.19620 182.2
[M+K]+ 323.12554 170.6
[M+H-H2O]+ 267.15964 161.0
[M+HCOO]- 329.16058 186.5
[M+CH3COO]- 343.17623 197.2
[M+Na-2H]- 305.13705 168.8
[M]+ 284.16183 172.6
[M]- 284.16293 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.