CID 123602080

9-hydroxy-5,9-dimethyl-4-decenal

Structural Information

Molecular Formula

C₁₂H₂₂O₂

SMILES

CC(=CCCC=O)CCCC(C)(C)O

InChI

InChI=1S/C12H22O2/c1-11(7-4-5-10-13)8-6-9-12(2,3)14/h7,10,14H,4-6,8-9H2,1-3H3

InChIKey

IVCJGAUQMMORNE-UHFFFAOYSA-N

Compound name

9-hydroxy-5,9-dimethyldec-4-enal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 363
Patents: 198.16199 Da
Monoisotopic Mass: 2.2
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]+	199.169266	150.2
[M+Na]+	221.151208	155.5
[M-H]-	197.154714	148.5
[M+NH4]+	216.195813	169.1
[M+K]+	237.125148	153.4
[M+H-H2O]+	181.159250	145.8
[M+HCOO]-	243.160191	169.0
[M+CH3COO]-	257.175841	185.2
[M+Na-2H]-	219.136656	153.1
[M]+	198.16144142	152.2
[M]-	198.16253858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe