CID 5364497

(z)-13-octadecenal

Structural Information

Molecular Formula
C18H34O
SMILES
CCCC/C=C\CCCCCCCCCCCC=O
InChI
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,18H,2-4,7-17H2,1H3/b6-5-
InChIKey
QIRGIHPYVVKWTO-WAYWQWQTSA-N
Compound name
(Z)-octadec-13-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

610
Patents

266.26096 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.26824 172.8
[M+Na]+ 289.25018 181.6
[M+NH4]+ 284.29478 179.1
[M+K]+ 305.22412 172.1
[M-H]- 265.25368 172.0
[M+Na-2H]- 287.23563 174.2
[M]+ 266.26041 173.6
[M]- 266.26151 173.6
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