CID 155007

Lilac aldehyde

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC(C=O)C1CCC(O1)(C)C=C

InChI

InChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3

InChIKey

YPZQHCLBLRWNMJ-UHFFFAOYSA-N

Compound name

2-(5-ethenyl-5-methyloxolan-2-yl)propanal

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 46
Patents: 168.11504 Da
Monoisotopic Mass: 1.5
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]+	169.122316	136.5
[M+Na]+	191.104258	143.5
[M-H]-	167.107764	140.5
[M+NH4]+	186.148863	159.5
[M+K]+	207.078198	143.3
[M+H-H2O]+	151.112300	132.6
[M+HCOO]-	213.113241	157.4
[M+CH3COO]-	227.128891	178.9
[M+Na-2H]-	189.089706	140.4
[M]+	168.11449142	136.7
[M]-	168.11558858	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe