CID 44256586

9z-heptadecenal

Structural Information

Molecular Formula

C₁₇H₃₂O

SMILES

CCCCCCC/C=C\CCCCCCCC=O

InChI

InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h8-9,17H,2-7,10-16H2,1H3/b9-8-

InChIKey

HJEWKIMQTQIIIN-HJWRWDBZSA-N

Compound name

(Z)-heptadec-9-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 252.24532 Da
Monoisotopic Mass: 6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.25260	168.9
[M+Na]+	275.23454	172.3
[M-H]-	251.23804	167.3
[M+NH4]+	270.27914	186.3
[M+K]+	291.20848	168.5
[M+H-H2O]+	235.24258	162.6
[M+HCOO]-	297.24352	189.8
[M+CH3COO]-	311.25917	200.1
[M+Na-2H]-	273.21999	170.2
[M]+	252.24477	174.4
[M]-	252.24587	174.4

Literature stripe

literature stripe

Patent stripe

patents stripe