CID 11252736

4-(2-tetrahydro-2h-pyranoxy)benzaldehyde

Structural Information

Molecular Formula
C12H14O3
SMILES
C1CCOC(C1)OC2=CC=C(C=C2)C=O
InChI
InChI=1S/C12H14O3/c13-9-10-4-6-11(7-5-10)15-12-3-1-2-8-14-12/h4-7,9,12H,1-3,8H2
InChIKey
QYKABQMBXCBINA-UHFFFAOYSA-N
Compound name
4-(oxan-2-yloxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

855
Patents

206.0943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 143.3
[M+Na]+ 229.08352 148.9
[M-H]- 205.08702 150.0
[M+NH4]+ 224.12812 160.5
[M+K]+ 245.05746 148.2
[M+H-H2O]+ 189.09156 136.2
[M+HCOO]- 251.09250 164.1
[M+CH3COO]- 265.10815 183.4
[M+Na-2H]- 227.06897 149.8
[M]+ 206.09375 142.0
[M]- 206.09485 142.0
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.