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

1219
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 164.4
[M+Na]+ 261.21888 168.2
[M-H]- 237.22238 163.0
[M+NH4]+ 256.26348 182.4
[M+K]+ 277.19282 164.7
[M+H-H2O]+ 221.22692 158.3
[M+HCOO]- 283.22786 185.6
[M+CH3COO]- 297.24351 197.1
[M+Na-2H]- 259.20433 166.3
[M]+ 238.22911 169.6
[M]- 238.23021 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.