CID 79551789

1560225-68-4

Structural Information

Molecular Formula
C16H20O3
SMILES
COC1=CC(=C(C=C1)OCC2CC3CCC2C3)C=O
InChI
InChI=1S/C16H20O3/c1-18-15-4-5-16(13(8-15)9-17)19-10-14-7-11-2-3-12(14)6-11/h4-5,8-9,11-12,14H,2-3,6-7,10H2,1H3
InChIKey
BDVVYNLCXPHIPT-UHFFFAOYSA-N
Compound name
2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.14124 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14852 160.3
[M+Na]+ 283.13046 170.6
[M+NH4]+ 278.17506 169.3
[M+K]+ 299.10440 167.1
[M-H]- 259.13396 162.6
[M+Na-2H]- 281.11591 163.2
[M]+ 260.14069 162.2
[M]- 260.14179 162.2
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.