CID 181769

66068-76-6

Structural Information

Molecular Formula

SMILES

C[C@@H](N)P(=O)(O)O

InChI

InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)/t2-/m0/s1

InChIKey

UIQSKEDQPSEGAU-REOHCLBHSA-N

Compound name

[(1S)-1-aminoethyl]phosphonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 17
References: 654
Patents: 125.02418 Da
Monoisotopic Mass: -4.3
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]+	126.03146	124.3
[M+Na]+	148.01340	131.2
[M+NH4]+	143.05800	130.0
[M+K]+	163.98734	129.9
[M-H]-	124.01690	120.9
[M+Na-2H]-	145.99885	125.3
[M]+	125.02363	123.7
[M]-	125.02473	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe