CID 13445093

1-[3-(3-methoxypropoxy)propoxy]butane

Structural Information

Molecular Formula

C₁₁H₂₄O₃

SMILES

CCCCOCCCOCCCOC

InChI

InChI=1S/C11H24O3/c1-3-4-8-13-10-6-11-14-9-5-7-12-2/h3-11H2,1-2H3

InChIKey

FTVFUKMOMFUYAN-UHFFFAOYSA-N

Compound name

1-[3-(3-methoxypropoxy)propoxy]butane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 204.17255 Da
Monoisotopic Mass: 2.1
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]+	205.179826	150.7
[M+Na]+	227.161768	155.8
[M-H]-	203.165274	149.9
[M+NH4]+	222.206373	170.0
[M+K]+	243.135708	155.7
[M+H-H2O]+	187.169810	144.9
[M+HCOO]-	249.170751	173.6
[M+CH3COO]-	263.186401	188.3
[M+Na-2H]-	225.147216	155.1
[M]+	204.17200142	158.3
[M]-	204.17309858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe