CID 68521

Tributyl orthoformate

Structural Information

Molecular Formula

C₁₃H₂₈O₃

SMILES

CCCCOC(OCCCC)OCCCC

InChI

InChI=1S/C13H28O3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h13H,4-12H2,1-3H3

InChIKey

SGJBIFUEFLWXJY-UHFFFAOYSA-N

Compound name

1-(dibutoxymethoxy)butane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1430
Patents: 232.20384 Da
Monoisotopic Mass: 3.8
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]+	233.211116	160.7
[M+Na]+	255.193058	164.7
[M-H]-	231.196564	159.7
[M+NH4]+	250.237663	178.8
[M+K]+	271.166998	164.6
[M+H-H2O]+	215.201100	154.6
[M+HCOO]-	277.202041	181.9
[M+CH3COO]-	291.217691	195.0
[M+Na-2H]-	253.178506	162.7
[M]+	232.20329142	168.4
[M]-	232.20438858	168.4

Literature stripe

literature stripe

Patent stripe

patents stripe