CID 22262443

2-hydroxyoctadecanal

Structural Information

Molecular Formula
C18H36O2
SMILES
CCCCCCCCCCCCCCCCC(C=O)O
InChI
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h17-18,20H,2-16H2,1H3
InChIKey
UXRGRFSIHMNRDL-UHFFFAOYSA-N
Compound name
2-hydroxyoctadecanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

284.27155 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.278826 179.4
[M+Na]+ 307.260768 181.2
[M-H]- 283.264274 176.0
[M+NH4]+ 302.305373 194.6
[M+K]+ 323.234708 177.7
[M+H-H2O]+ 267.268810 172.8
[M+HCOO]- 329.269751 197.3
[M+CH3COO]- 343.285401 204.5
[M+Na-2H]- 305.246216 178.2
[M]+ 284.27100142 184.8
[M]- 284.27209858 184.8
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

patents stripe