CID 15778

Isopropyl methylphosphonate

Structural Information

Molecular Formula

C₄H₁₁O₃P

SMILES

CC(C)OP(=O)(C)O

InChI

InChI=1S/C4H11O3P/c1-4(2)7-8(3,5)6/h4H,1-3H3,(H,5,6)

InChIKey

GHZKGHQGPXBWSN-UHFFFAOYSA-N

Compound name

methyl(propan-2-yloxy)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 45
References: 1245
Patents: 138.04459 Da
Monoisotopic Mass: -0.3
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]+	139.051866	129.7
[M+Na]+	161.033808	137.4
[M-H]-	137.037314	128.0
[M+NH4]+	156.078413	151.5
[M+K]+	177.007748	138.1
[M+H-H2O]+	121.041850	123.9
[M+HCOO]-	183.042791	156.1
[M+CH3COO]-	197.058441	171.6
[M+Na-2H]-	159.019256	133.1
[M]+	138.04404142	132.6
[M]-	138.04513858	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe