CID 3025687

Schembl1066912

Structural Information

Molecular Formula

C₁₆H₃₆OP

SMILES

CCCC[P+](CCCC)(CCCC)CC(C)OC

InChI

InChI=1S/C16H36OP/c1-6-9-12-18(13-10-7-2,14-11-8-3)15-16(4)17-5/h16H,6-15H2,1-5H3/q+1

InChIKey

BTMIENSZKMNLRR-UHFFFAOYSA-N

Compound name

tributyl(2-methoxypropyl)phosphanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 758
Patents: 275.25037 Da
Monoisotopic Mass: 4.0
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]+	276.25765	182.0
[M+Na]+	298.23959	185.3
[M-H]-	274.24309	180.1
[M+NH4]+	293.28419	199.2
[M+K]+	314.21353	178.1
[M+H-H2O]+	258.24763	177.0
[M+HCOO]-	320.24857	205.2
[M+CH3COO]-	334.26422	201.1
[M+Na-2H]-	296.22504	182.1
[M]+	275.24982	188.0
[M]-	275.25092	188.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe