CID 6431148

9-undecenal

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

C/C=C/CCCCCCCC=O

InChI

InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2-3,11H,4-10H2,1H3/b3-2+

InChIKey

ZFMUIJVOIVHGCF-NSCUHMNNSA-N

Compound name

(E)-undec-9-enal

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 1671
Patents: 168.15141 Da
Monoisotopic Mass: 3.5
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]+	169.15869	141.6
[M+Na]+	191.14063	147.5
[M-H]-	167.14413	141.2
[M+NH4]+	186.18523	162.5
[M+K]+	207.11457	145.4
[M+H-H2O]+	151.14867	136.6
[M+HCOO]-	213.14961	164.5
[M+CH3COO]-	227.16526	182.0
[M+Na-2H]-	189.12608	146.2
[M]+	168.15086	144.9
[M]-	168.15196	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe