CID 561235

4-benzyloxy-2-hydroxybenzaldehyde

Structural Information

Molecular Formula
C14H12O3
SMILES
C1=CC=C(C=C1)COC2=CC(=C(C=C2)C=O)O
InChI
InChI=1S/C14H12O3/c15-9-12-6-7-13(8-14(12)16)17-10-11-4-2-1-3-5-11/h1-9,16H,10H2
InChIKey
AMLKEDBYDOCGEG-UHFFFAOYSA-N
Compound name
2-hydroxy-4-phenylmethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

557
Patents

228.07864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.085916 148.3
[M+Na]+ 251.067858 156.5
[M-H]- 227.071364 154.1
[M+NH4]+ 246.112463 165.7
[M+K]+ 267.041798 152.9
[M+H-H2O]+ 211.075900 141.2
[M+HCOO]- 273.076841 172.1
[M+CH3COO]- 287.092491 187.0
[M+Na-2H]- 249.053306 154.6
[M]+ 228.07809142 149.9
[M]- 228.07918858 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe