CID 249494

Hydroxycitronellol

Structural Information

Molecular Formula

C₁₀H₂₂O₂

SMILES

CC(CCCC(C)(C)O)CCO

InChI

InChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3

InChIKey

FPCCDPXRNNVUOM-UHFFFAOYSA-N

Compound name

3,7-dimethyloctane-1,7-diol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 4
References: 2605
Patents: 174.16199 Da
Monoisotopic Mass: 1.9
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]+	175.16927	144.9
[M+Na]+	197.15121	149.9
[M-H]-	173.15471	142.0
[M+NH4]+	192.19581	164.1
[M+K]+	213.12515	148.6
[M+H-H2O]+	157.15925	140.8
[M+HCOO]-	219.16019	162.3
[M+CH3COO]-	233.17584	179.1
[M+Na-2H]-	195.13666	148.2
[M]+	174.16144	145.7
[M]-	174.16254	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe