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
3
Annotation Hits

1
References

2097
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 156.2
[M+Na]+ 257.15121 162.3
[M-H]- 233.15471 159.0
[M+NH4]+ 252.19581 174.3
[M+K]+ 273.12515 159.3
[M+H-H2O]+ 217.15925 149.5
[M+HCOO]- 279.16019 179.5
[M+CH3COO]- 293.17584 193.8
[M+Na-2H]- 255.13666 160.5
[M]+ 234.16144 160.9
[M]- 234.16254 160.9
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