CID 69311

Tripropyl orthoformate

Structural Information

Molecular Formula

C₁₀H₂₂O₃

SMILES

CCCOC(OCCC)OCCC

InChI

InChI=1S/C10H22O3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h10H,4-9H2,1-3H3

InChIKey

RWNXXQFJBALKAX-UHFFFAOYSA-N

Compound name

1-(dipropoxymethoxy)propane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2102
Patents: 190.15689 Da
Monoisotopic Mass: 2.7
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	146.8
[M+Na]+	213.14611	152.1
[M-H]-	189.14961	146.4
[M+NH4]+	208.19071	166.6
[M+K]+	229.12005	152.7
[M+H-H2O]+	173.15415	141.3
[M+HCOO]-	235.15509	169.0
[M+CH3COO]-	249.17074	186.0
[M+Na-2H]-	211.13156	150.5
[M]+	190.15634	153.4
[M]-	190.15744	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe