CID 44256591

9z-nonadecenal

Structural Information

Molecular Formula
C19H36O
SMILES
CCCCCCCCC/C=C\CCCCCCCC=O
InChI
InChI=1S/C19H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h10-11,19H,2-9,12-18H2,1H3/b11-10-
InChIKey
AKQYTSLMKKEXOK-KHPPLWFESA-N
Compound name
(Z)-nonadec-9-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

280.2766 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.28388 177.9
[M+Na]+ 303.26582 180.4
[M-H]- 279.26932 175.8
[M+NH4]+ 298.31042 194.2
[M+K]+ 319.23976 176.1
[M+H-H2O]+ 263.27386 171.2
[M+HCOO]- 325.27480 198.1
[M+CH3COO]- 339.29045 206.1
[M+Na-2H]- 301.25127 178.1
[M]+ 280.27605 184.2
[M]- 280.27715 184.2
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