CID 3015813

1-(3-butoxypropoxy)propan-1-ol

Structural Information

Molecular Formula

C₁₀H₂₂O₃

SMILES

CCCCOCCCOC(CC)O

InChI

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

InChIKey

LNFLHXZJCVGTSO-UHFFFAOYSA-N

Compound name

1-(3-butoxypropoxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1026
Patents: 190.15689 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]+	191.16417	145.4
[M+Na]+	213.14611	153.9
[M+NH4]+	208.19071	152.0
[M+K]+	229.12005	148.7
[M-H]-	189.14961	143.6
[M+Na-2H]-	211.13156	147.2
[M]+	190.15634	145.8
[M]-	190.15744	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe