CID 115613

3-(m-propylphenoxy)-1,2-propanediol

Structural Information

Molecular Formula
C12H18O3
SMILES
CCCC1=CC(=CC=C1)OCC(CO)O
InChI
InChI=1S/C12H18O3/c1-2-4-10-5-3-6-12(7-10)15-9-11(14)8-13/h3,5-7,11,13-14H,2,4,8-9H2,1H3
InChIKey
HEXPBLMJYQVQNU-UHFFFAOYSA-N
Compound name
3-(3-propylphenoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.1256 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13288 148.0
[M+Na]+ 233.11482 158.9
[M+NH4]+ 228.15942 155.2
[M+K]+ 249.08876 153.3
[M-H]- 209.11832 148.6
[M+Na-2H]- 231.10027 152.8
[M]+ 210.12505 149.5
[M]- 210.12615 149.5
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.