CID 141069

24083-19-0

Structural Information

Molecular Formula
C19H30O2
SMILES
CCCCCCCCCCCCOC1=CC=C(C=C1)C=O
InChI
InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-16-21-19-14-12-18(17-20)13-15-19/h12-15,17H,2-11,16H2,1H3
InChIKey
ZBEGLEYBWGNZJA-UHFFFAOYSA-N
Compound name
4-dodecoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

844
Patents

290.22458 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.23186 174.6
[M+Na]+ 313.21380 178.9
[M-H]- 289.21730 176.6
[M+NH4]+ 308.25840 190.4
[M+K]+ 329.18774 175.0
[M+H-H2O]+ 273.22184 167.0
[M+HCOO]- 335.22278 196.5
[M+CH3COO]- 349.23843 205.8
[M+Na-2H]- 311.19925 176.7
[M]+ 290.22403 180.8
[M]- 290.22513 180.8
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