CID 90358

4-(octyloxy)benzaldehyde

Structural Information

Molecular Formula
C15H22O2
SMILES
CCCCCCCCOC1=CC=C(C=C1)C=O
InChI
InChI=1S/C15H22O2/c1-2-3-4-5-6-7-12-17-15-10-8-14(13-16)9-11-15/h8-11,13H,2-7,12H2,1H3
InChIKey
KVOWZHASDIKNFK-UHFFFAOYSA-N
Compound name
4-octoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1842
Patents

234.16199 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 156.5
[M+Na]+ 257.15121 168.8
[M+NH4]+ 252.19581 164.4
[M+K]+ 273.12515 160.4
[M-H]- 233.15471 158.6
[M+Na-2H]- 255.13666 162.5
[M]+ 234.16144 158.8
[M]- 234.16254 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe