CID 547734

8-methyl-1,8-nonanediol

Structural Information

Molecular Formula

C₁₀H₂₂O₂

SMILES

CC(C)(CCCCCCCO)O

InChI

InChI=1S/C10H22O2/c1-10(2,12)8-6-4-3-5-7-9-11/h11-12H,3-9H2,1-2H3

InChIKey

RSVXEWNNIYHBNE-UHFFFAOYSA-N

Compound name

8-methylnonane-1,8-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 174.16199 Da
Monoisotopic Mass: 2.0
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]+	175.169266	144.9
[M+Na]+	197.151208	150.0
[M-H]-	173.154714	141.9
[M+NH4]+	192.195813	164.1
[M+K]+	213.125148	148.2
[M+H-H2O]+	157.159250	140.7
[M+HCOO]-	219.160191	163.3
[M+CH3COO]-	233.175841	178.2
[M+Na-2H]-	195.136656	149.4
[M]+	174.16144142	146.3
[M]-	174.16253858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe