CID 6366336

(e)-2-(2-methylpropylidene)hexanal

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CCCC/C(=C\C(C)C)/C=O

InChI

InChI=1S/C10H18O/c1-4-5-6-10(8-11)7-9(2)3/h7-9H,4-6H2,1-3H3/b10-7+

InChIKey

BCKIEFFJHXOMBQ-JXMROGBWSA-N

Compound name

(2E)-2-(2-methylpropylidene)hexanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.13577 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]+	155.143046	137.7
[M+Na]+	177.124988	143.6
[M-H]-	153.128494	137.7
[M+NH4]+	172.169593	159.0
[M+K]+	193.098928	142.6
[M+H-H2O]+	137.133030	133.1
[M+HCOO]-	199.133971	158.9
[M+CH3COO]-	213.149621	180.5
[M+Na-2H]-	175.110436	140.3
[M]+	154.13522142	139.2
[M]-	154.13631858	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.