CID 5364495

(z)-11-hexadecenal

Structural Information

Molecular Formula
C16H30O
SMILES
CCCC/C=C\CCCCCCCCCC=O
InChI
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3/b6-5-
InChIKey
AMTITFMUKRZZEE-WAYWQWQTSA-N
Compound name
(Z)-hexadec-11-enal
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

53
References

3325
Patents

238.22966 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.23694 164.0
[M+Na]+ 261.21888 173.2
[M+NH4]+ 256.26348 170.7
[M+K]+ 277.19282 164.2
[M-H]- 237.22238 163.3
[M+Na-2H]- 259.20433 165.9
[M]+ 238.22911 164.9
[M]- 238.23021 164.9
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