CID 446977

Methoxyundecylphosphinic acid

Structural Information

Molecular Formula

C₁₂H₂₇O₃P

SMILES

CCCCCCCCCCCP(=O)(O)OC

InChI

InChI=1S/C12H27O3P/c1-3-4-5-6-7-8-9-10-11-12-16(13,14)15-2/h3-12H2,1-2H3,(H,13,14)

InChIKey

JBVUSHKPEBKWQP-UHFFFAOYSA-N

Compound name

methoxy(undecyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 250.16978 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]+	251.177056	168.0
[M+Na]+	273.158998	172.6
[M-H]-	249.162504	164.7
[M+NH4]+	268.203603	185.4
[M+K]+	289.132938	170.8
[M+H-H2O]+	233.167040	160.5
[M+HCOO]-	295.167981	192.8
[M+CH3COO]-	309.183631	195.1
[M+Na-2H]-	271.144446	168.4
[M]+	250.16923142	174.6
[M]-	250.17032858	174.6

Literature stripe

literature stripe

Patent stripe

patents stripe