CID 6429810

Benzaldehyde, 5-dodecyl-2-hydroxy-

Structural Information

Molecular Formula
C19H30O2
SMILES
CCCCCCCCCCCCC1=CC(=C(C=C1)O)C=O
InChI
InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14-19(21)18(15-17)16-20/h13-16,21H,2-12H2,1H3
InChIKey
GGHYSWAOXYBGNK-UHFFFAOYSA-N
Compound name
5-dodecyl-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

43
Patents

290.22458 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.23186 174.4
[M+Na]+ 313.21380 179.2
[M-H]- 289.21730 175.4
[M+NH4]+ 308.25840 189.8
[M+K]+ 329.18774 174.4
[M+H-H2O]+ 273.22184 167.3
[M+HCOO]- 335.22278 194.8
[M+CH3COO]- 349.23843 204.3
[M+Na-2H]- 311.19925 175.4
[M]+ 290.22403 179.1
[M]- 290.22513 179.1
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