CID 74155

Triisobutyl phosphite

Structural Information

Molecular Formula

C₁₂H₂₇O₃P

SMILES

CC(C)COP(OCC(C)C)OCC(C)C

InChI

InChI=1S/C12H27O3P/c1-10(2)7-13-16(14-8-11(3)4)15-9-12(5)6/h10-12H,7-9H2,1-6H3

InChIKey

NURJXHUITUPBOD-UHFFFAOYSA-N

Compound name

tris(2-methylpropyl) phosphite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1019
Patents: 250.16978 Da
Monoisotopic Mass: 4.1
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]+	251.177056	168.9
[M+Na]+	273.158998	172.4
[M-H]-	249.162504	167.1
[M+NH4]+	268.203603	186.7
[M+K]+	289.132938	173.6
[M+H-H2O]+	233.167040	160.9
[M+HCOO]-	295.167981	192.6
[M+CH3COO]-	309.183631	201.5
[M+Na-2H]-	271.144446	163.9
[M]+	250.16923142	176.0
[M]-	250.17032858	176.0

Literature stripe

literature stripe

Patent stripe

patents stripe