CID 444720

Norleucine phosphonate

Structural Information

Molecular Formula

C₅H₁₄NO₃P

SMILES

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

InChI

InChI=1S/C5H14NO3P/c1-2-3-4-5(6)10(7,8)9/h5H,2-4,6H2,1H3,(H2,7,8,9)/t5-/m1/s1

InChIKey

NXTPDFMZKSLVRK-RXMQYKEDSA-N

Compound name

[(1R)-1-aminopentyl]phosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 167.07114 Da
Monoisotopic Mass: -2.9
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]+	168.07842	140.3
[M+Na]+	190.06036	146.0
[M-H]-	166.06386	136.2
[M+NH4]+	185.10496	159.4
[M+K]+	206.03430	145.2
[M+H-H2O]+	150.06840	133.7
[M+HCOO]-	212.06934	165.1
[M+CH3COO]-	226.08499	176.4
[M+Na-2H]-	188.04581	141.5
[M]+	167.07059	139.4
[M]-	167.07169	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe