CID 83829517

3-(oxan-4-yl)benzaldehyde

Structural Information

Molecular Formula
C12H14O2
SMILES
C1COCCC1C2=CC=CC(=C2)C=O
InChI
InChI=1S/C12H14O2/c13-9-10-2-1-3-12(8-10)11-4-6-14-7-5-11/h1-3,8-9,11H,4-7H2
InChIKey
GHWBNCQSSUMAQC-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 140.2
[M+Na]+ 213.08860 145.9
[M-H]- 189.09210 146.9
[M+NH4]+ 208.13320 158.1
[M+K]+ 229.06254 144.7
[M+H-H2O]+ 173.09664 133.4
[M+HCOO]- 235.09758 160.8
[M+CH3COO]- 249.11323 181.4
[M+Na-2H]- 211.07405 146.6
[M]+ 190.09883 137.5
[M]- 190.09993 137.5
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.