CID 194454

Serricornin

Structural Information

Molecular Formula

C₁₁H₂₂O₂

SMILES

CCC(C(C)CC(C)C(=O)CC)O

InChI

InChI=1S/C11H22O2/c1-5-10(12)8(3)7-9(4)11(13)6-2/h8-10,12H,5-7H2,1-4H3

InChIKey

YEKDTNYNLCQHPV-UHFFFAOYSA-N

Compound name

7-hydroxy-4,6-dimethylnonan-3-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 110
Patents: 186.16199 Da
Monoisotopic Mass: 2.4
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]+	187.169266	147.9
[M+Na]+	209.151208	152.1
[M-H]-	185.154714	146.3
[M+NH4]+	204.195813	167.0
[M+K]+	225.125148	151.9
[M+H-H2O]+	169.159250	143.1
[M+HCOO]-	231.160191	165.3
[M+CH3COO]-	245.175841	186.1
[M+Na-2H]-	207.136656	146.8
[M]+	186.16144142	148.8
[M]-	186.16253858	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe