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: 1938
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	128.3
[M+Na]+	162.02905	135.2
[M+NH4]+	157.07365	133.9
[M+K]+	178.00299	132.9
[M-H]-	138.03255	125.0
[M+Na-2H]-	160.01450	129.4
[M]+	139.03928	127.7
[M]-	139.04038	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe