CID 14556192

Gmppt

Structural Information

Molecular Formula

C₆H₁₄NO₄P

SMILES

CC(CC(C(=O)O)N)P(=O)(C)O

InChI

InChI=1S/C6H14NO4P/c1-4(12(2,10)11)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)(H,10,11)

InChIKey

LLSWVOXJHFIPIU-UHFFFAOYSA-N

Compound name

2-amino-4-[hydroxy(methyl)phosphoryl]pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 195.06604 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]+	196.07332	143.8
[M+Na]+	218.05526	148.7
[M+NH4]+	213.09986	147.7
[M+K]+	234.02920	148.7
[M-H]-	194.05876	139.0
[M+Na-2H]-	216.04071	142.5
[M]+	195.06549	142.4
[M]-	195.06659	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe