CID 5367668

16-octadecenal

Structural Information

Molecular Formula
C18H34O
SMILES
C/C=C/CCCCCCCCCCCCCCC=O
InChI
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-3,18H,4-17H2,1H3/b3-2+
InChIKey
WTQUVMLIINDJCS-NSCUHMNNSA-N
Compound name
(E)-octadec-16-enal
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

2
Patents

266.26096 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.268236 173.4
[M+Na]+ 289.250178 176.4
[M-H]- 265.253684 171.6
[M+NH4]+ 284.294783 190.3
[M+K]+ 305.224118 172.3
[M+H-H2O]+ 249.258220 166.9
[M+HCOO]- 311.259161 193.9
[M+CH3COO]- 325.274811 203.1
[M+Na-2H]- 287.235626 174.2
[M]+ 266.26041142 179.3
[M]- 266.26150858 179.3
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