CID 24981

2-methylpentyl cellosolve

Structural Information

Molecular Formula

C₈H₁₈O₂

SMILES

CCCC(C)COCCO

InChI

InChI=1S/C8H18O2/c1-3-4-8(2)7-10-6-5-9/h8-9H,3-7H2,1-2H3

InChIKey

KYOBHZJMEUPABN-UHFFFAOYSA-N

Compound name

2-(2-methylpentoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 342
Patents: 146.13068 Da
Monoisotopic Mass: 1.6
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]+	147.137956	135.4
[M+Na]+	169.119898	141.1
[M-H]-	145.123404	133.9
[M+NH4]+	164.164503	156.3
[M+K]+	185.093838	140.9
[M+H-H2O]+	129.127940	130.7
[M+HCOO]-	191.128881	156.5
[M+CH3COO]-	205.144531	175.3
[M+Na-2H]-	167.105346	139.6
[M]+	146.13013142	137.8
[M]-	146.13122858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe