CID 44256568

2e,9-decadienal

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

C=CCCCCC/C=C/C=O

InChI

InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h2,8-10H,1,3-7H2/b9-8+

InChIKey

XKDPZNLHTMQIOY-CMDGGOBGSA-N

Compound name

(2E)-deca-2,9-dienal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 152.12012 Da
Monoisotopic Mass: 3.2
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]+	153.12740	135.3
[M+Na]+	175.10934	141.9
[M-H]-	151.11284	135.1
[M+NH4]+	170.15394	156.7
[M+K]+	191.08328	139.4
[M+H-H2O]+	135.11738	130.6
[M+HCOO]-	197.11832	158.7
[M+CH3COO]-	211.13397	178.0
[M+Na-2H]-	173.09479	140.5
[M]+	152.11957	137.5
[M]-	152.12067	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe