CID 3564405

72041-59-9

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 147.6
[M+Na]+ 245.07842 160.0
[M+NH4]+ 240.12302 155.4
[M+K]+ 261.05236 154.3
[M-H]- 221.08192 151.9
[M+Na-2H]- 243.06387 153.7
[M]+ 222.08865 150.4
[M]- 222.08975 150.4
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