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]+ 285.27883 179.4
[M+Na]+ 307.26077 181.2
[M-H]- 283.26427 176.0
[M+NH4]+ 302.30537 194.6
[M+K]+ 323.23471 177.7
[M+H-H2O]+ 267.26881 172.8
[M+HCOO]- 329.26975 197.3
[M+CH3COO]- 343.28540 204.5
[M+Na-2H]- 305.24622 178.2
[M]+ 284.27100 184.8
[M]- 284.27210 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