CID 118101

33731-62-3

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

CCCC1=COC(CC1)(CCC)C=O

InChI

InChI=1S/C12H20O2/c1-3-5-11-6-8-12(10-13,7-4-2)14-9-11/h9-10H,3-8H2,1-2H3

InChIKey

UDVDQPMLLBOKKZ-UHFFFAOYSA-N

Compound name

2,5-dipropyl-3,4-dihydropyran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 196.14633 Da
Monoisotopic Mass: 2.7
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]+	197.153606	144.6
[M+Na]+	219.135548	150.9
[M-H]-	195.139054	148.4
[M+NH4]+	214.180153	164.9
[M+K]+	235.109488	150.4
[M+H-H2O]+	179.143590	139.4
[M+HCOO]-	241.144531	165.1
[M+CH3COO]-	255.160181	184.9
[M+Na-2H]-	217.120996	150.8
[M]+	196.14578142	146.3
[M]-	196.14687858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe