CID 3062646

L-(+)-2-amino-6-phosphonohexanoic acid

Structural Information

Molecular Formula

C₆H₁₄NO₅P

SMILES

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

InChI

InChI=1S/C6H14NO5P/c7-5(6(8)9)3-1-2-4-13(10,11)12/h5H,1-4,7H2,(H,8,9)(H2,10,11,12)/t5-/m0/s1

InChIKey

QIOXWRQXHFVNLV-YFKPBYRVSA-N

Compound name

(2S)-2-amino-6-phosphonohexanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 75
Patents: 211.06096 Da
Monoisotopic Mass: -3.9
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]+	212.068236	148.4
[M+Na]+	234.050178	153.1
[M-H]-	210.053684	142.7
[M+NH4]+	229.094783	164.7
[M+K]+	250.024118	152.2
[M+H-H2O]+	194.058220	141.5
[M+HCOO]-	256.059161	171.0
[M+CH3COO]-	270.074811	181.4
[M+Na-2H]-	232.035626	147.9
[M]+	211.06041142	147.5
[M]-	211.06150858	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe