CID 5364643

(z)-9-hexadecenal

Structural Information

Molecular Formula
C16H30O
SMILES
CCCCCC/C=C\CCCCCCCC=O
InChI
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3/b8-7-
InChIKey
QFPVVMKZTVQDTL-FPLPWBNLSA-N
Compound name
(Z)-hexadec-9-enal
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

10
References

1080
Patents

238.22966 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.236936 164.4
[M+Na]+ 261.218878 168.2
[M-H]- 237.222384 163.0
[M+NH4]+ 256.263483 182.4
[M+K]+ 277.192818 164.7
[M+H-H2O]+ 221.226920 158.3
[M+HCOO]- 283.227861 185.6
[M+CH3COO]- 297.243511 197.1
[M+Na-2H]- 259.204326 166.3
[M]+ 238.22911142 169.6
[M]- 238.23020858 169.6
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