CID 25009

2-methylpentyl carbitol

Structural Information

Molecular Formula

C₁₀H₂₂O₃

SMILES

CCCC(C)COCCOCCO

InChI

InChI=1S/C10H22O3/c1-3-4-10(2)9-13-8-7-12-6-5-11/h10-11H,3-9H2,1-2H3

InChIKey

LSCNICLUNGUIRB-UHFFFAOYSA-N

Compound name

2-[2-(2-methylpentoxy)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 321
Patents: 190.15689 Da
Monoisotopic Mass: 1.5
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]+	191.16417	147.4
[M+Na]+	213.14611	152.3
[M-H]-	189.14961	145.6
[M+NH4]+	208.19071	166.5
[M+K]+	229.12005	152.0
[M+H-H2O]+	173.15415	142.1
[M+HCOO]-	235.15509	168.1
[M+CH3COO]-	249.17074	183.3
[M+Na-2H]-	211.13156	150.6
[M]+	190.15634	152.1
[M]-	190.15744	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe