CID 6386353

2-propyl-2-heptenal

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

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

InChI

InChI=1S/C10H18O/c1-3-5-6-8-10(9-11)7-4-2/h8-9H,3-7H2,1-2H3/b10-8-

InChIKey

GADNZGQWPNTMCH-NTMALXAHSA-N

Compound name

(Z)-2-propylhept-2-enal

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 765
Patents: 154.13577 Da
Monoisotopic Mass: 3.4
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]+	155.143046	137.5
[M+Na]+	177.124988	143.6
[M-H]-	153.128494	137.4
[M+NH4]+	172.169593	158.9
[M+K]+	193.098928	142.1
[M+H-H2O]+	137.133030	132.8
[M+HCOO]-	199.133971	159.7
[M+CH3COO]-	213.149621	179.7
[M+Na-2H]-	175.110436	141.4
[M]+	154.13522142	139.7
[M]-	154.13631858	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe