CID 97587

3-aminopropylphosphonic acid

Structural Information

Molecular Formula

C₃H₁₀NO₃P

SMILES

C(CN)CP(=O)(O)O

InChI

InChI=1S/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7)

InChIKey

GSZQTIFGANBTNF-UHFFFAOYSA-N

Compound name

3-aminopropylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 54
References: 2335
Patents: 139.03983 Da
Monoisotopic Mass: -4.5
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]+	140.04711	130.6
[M+Na]+	162.02905	137.4
[M-H]-	138.03255	126.7
[M+NH4]+	157.07365	150.8
[M+K]+	178.00299	136.5
[M+H-H2O]+	122.03709	124.3
[M+HCOO]-	184.03803	157.0
[M+CH3COO]-	198.05368	169.4
[M+Na-2H]-	160.01450	134.1
[M]+	139.03928	129.7
[M]-	139.04038	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe