CID 12459492

1832-55-9

Structural Information

Molecular Formula

C₅H₁₃O₃P

SMILES

CCCCOP(=O)(C)O

InChI

InChI=1S/C5H13O3P/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3,(H,6,7)

InChIKey

GZUFHXSFPZCNJA-UHFFFAOYSA-N

Compound name

butoxy(methyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 152.06023 Da
Monoisotopic Mass: 0.2
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]+	153.06751	134.7
[M+Na]+	175.04945	142.2
[M-H]-	151.05295	132.7
[M+NH4]+	170.09405	156.0
[M+K]+	191.02339	142.2
[M+H-H2O]+	135.05749	128.6
[M+HCOO]-	197.05843	161.8
[M+CH3COO]-	211.07408	173.8
[M+Na-2H]-	173.03490	138.8
[M]+	152.05968	138.6
[M]-	152.06078	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe