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]+ 223.09648 146.6
[M+Na]+ 245.07842 152.6
[M-H]- 221.08192 152.3
[M+NH4]+ 240.12302 162.6
[M+K]+ 261.05236 151.6
[M+H-H2O]+ 205.08646 139.7
[M+HCOO]- 267.08740 166.0
[M+CH3COO]- 281.10305 184.2
[M+Na-2H]- 243.06387 151.9
[M]+ 222.08865 145.4
[M]- 222.08975 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