CID 89695

1,2-propanediol, 3-(p-hydroxyphenoxy)-

Structural Information

Molecular Formula
C9H12O4
SMILES
C1=CC(=CC=C1O)OC(CO)CO
InChI
InChI=1S/C9H12O4/c10-5-9(6-11)13-8-3-1-7(12)2-4-8/h1-4,9-12H,5-6H2
InChIKey
IGNIFCHMNYFZNK-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenoxy)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

184.07356 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 137.9
[M+Na]+ 207.062778 144.4
[M-H]- 183.066284 137.6
[M+NH4]+ 202.107383 155.6
[M+K]+ 223.036718 142.5
[M+H-H2O]+ 167.070820 132.5
[M+HCOO]- 229.071761 157.8
[M+CH3COO]- 243.087411 173.8
[M+Na-2H]- 205.048226 142.6
[M]+ 184.07301142 137.7
[M]- 184.07410858 137.7
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