CID 13918270

Ghppt

Structural Information

Molecular Formula

C₅H₁₂NO₅P

SMILES

CP(=O)(C(CC(C(=O)O)N)O)O

InChI

InChI=1S/C5H12NO5P/c1-12(10,11)4(7)2-3(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)(H,10,11)

InChIKey

ZFYMZQBTTYLNFW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.0453 Da
Monoisotopic Mass: -4.9
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]+	198.05258	142.6
[M+Na]+	220.03452	146.6
[M+NH4]+	215.07912	145.7
[M+K]+	236.00846	147.7
[M-H]-	196.03802	136.7
[M+Na-2H]-	218.01997	140.4
[M]+	197.04475	140.6
[M]-	197.04585	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe