CID 3564405

4-tetrahydropyranoxy-2-hydroxybenzaldehyde

Structural Information

Molecular Formula
C12H14O4
SMILES
C1CCOC(C1)OC2=CC(=C(C=C2)C=O)O
InChI
InChI=1S/C12H14O4/c13-8-9-4-5-10(7-11(9)14)16-12-3-1-2-6-15-12/h4-5,7-8,12,14H,1-3,6H2
InChIKey
NDAHKJIBTIDZIO-UHFFFAOYSA-N
Compound name
2-hydroxy-4-(oxan-2-yloxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

222.0892 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.096476 146.6
[M+Na]+ 245.078418 152.6
[M-H]- 221.081924 152.3
[M+NH4]+ 240.123023 162.6
[M+K]+ 261.052358 151.6
[M+H-H2O]+ 205.086460 139.7
[M+HCOO]- 267.087401 166.0
[M+CH3COO]- 281.103051 184.2
[M+Na-2H]- 243.063866 151.9
[M]+ 222.08865142 145.4
[M]- 222.08974858 145.4
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