CID 3085611

71808-62-3

Structural Information

Molecular Formula

C₁₁H₂₄O₄

SMILES

CC(C)CC(OCCOC)OCCOC

InChI

InChI=1S/C11H24O4/c1-10(2)9-11(14-7-5-12-3)15-8-6-13-4/h10-11H,5-9H2,1-4H3

InChIKey

VUMJODFZOIYYSY-UHFFFAOYSA-N

Compound name

1,1-bis(2-methoxyethoxy)-3-methylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 220.16747 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]+	221.174746	154.5
[M+Na]+	243.156688	159.1
[M-H]-	219.160194	154.0
[M+NH4]+	238.201293	173.0
[M+K]+	259.130628	160.5
[M+H-H2O]+	203.164730	148.7
[M+HCOO]-	265.165671	175.7
[M+CH3COO]-	279.181321	191.8
[M+Na-2H]-	241.142136	156.4
[M]+	220.16692142	162.3
[M]-	220.16801858	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe