CID 116426

3-(formylphenoxy)-1,2-propanediol

Structural Information

Molecular Formula
C10H12O4
SMILES
C1=CC=C(C(=C1)C=O)OC(CO)CO
InChI
InChI=1S/C10H12O4/c11-5-8-3-1-2-4-10(8)14-9(6-12)7-13/h1-5,9,12-13H,6-7H2
InChIKey
UKXJGTYFCAUBIQ-UHFFFAOYSA-N
Compound name
2-(1,3-dihydroxypropan-2-yloxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.07356 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 141.3
[M+Na]+ 219.06278 152.2
[M+NH4]+ 214.10738 148.0
[M+K]+ 235.03672 147.5
[M-H]- 195.06628 141.2
[M+Na-2H]- 217.04823 146.1
[M]+ 196.07301 142.5
[M]- 196.07411 142.5
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.