CID 5230

127729-35-5

Structural Information

Molecular Formula

C₄H₁₂NO₂P

SMILES

CP(=O)(CCCN)O

InChI

InChI=1S/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)

InChIKey

NHVRIDDXGZPJTJ-UHFFFAOYSA-N

Compound name

3-aminopropyl(methyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 70
References: 564
Patents: 137.06056 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]+	138.06784	131.8
[M+Na]+	160.04978	138.8
[M-H]-	136.05328	129.3
[M+NH4]+	155.09438	153.1
[M+K]+	176.02372	138.1
[M+H-H2O]+	120.05782	125.5
[M+HCOO]-	182.05876	159.3
[M+CH3COO]-	196.07441	172.9
[M+Na-2H]-	158.03523	135.3
[M]+	137.06001	131.9
[M]-	137.06111	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe