CID 56936215

3e,7z-decadien-2-one

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC/C=C\CC/C=C/C(=O)C

InChI

InChI=1S/C10H16O/c1-3-4-5-6-7-8-9-10(2)11/h4-5,8-9H,3,6-7H2,1-2H3/b5-4-,9-8+

InChIKey

VALLPPJVHNQXGZ-FTGFODROSA-N

Compound name

(3E,7Z)-deca-3,7-dien-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 152.12012 Da
Monoisotopic Mass: 2.4
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	136.0
[M+Na]+	175.10934	142.4
[M-H]-	151.11284	135.9
[M+NH4]+	170.15394	157.4
[M+K]+	191.08328	140.4
[M+H-H2O]+	135.11738	131.3
[M+HCOO]-	197.11832	158.4
[M+CH3COO]-	211.13397	178.1
[M+Na-2H]-	173.09479	139.9
[M]+	152.11957	137.4
[M]-	152.12067	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe