CID 439398

L-histidinol phosphate

Structural Information

Molecular Formula

C₆H₁₂N₃O₄P

SMILES

C1=C(NC=N1)C[C@@H](COP(=O)(O)O)N

InChI

InChI=1S/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)/t5-/m0/s1

InChIKey

CWNDERHTHMWBSI-YFKPBYRVSA-N

Compound name

[(2S)-2-amino-3-(1H-imidazol-5-yl)propyl] dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 49
References: 778
Patents: 221.05655 Da
Monoisotopic Mass: -4.6
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]+	222.06383	147.8
[M+Na]+	244.04577	152.9
[M-H]-	220.04927	143.0
[M+NH4]+	239.09037	162.4
[M+K]+	260.01971	151.5
[M+H-H2O]+	204.05381	138.6
[M+HCOO]-	266.05475	170.5
[M+CH3COO]-	280.07040	180.3
[M+Na-2H]-	242.03122	149.0
[M]+	221.05600	145.5
[M]-	221.05710	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe