CID 165271

L-histidinol

Structural Information

Molecular Formula

C₆H₁₁N₃O

SMILES

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

InChI

InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1

InChIKey

ZQISRDCJNBUVMM-YFKPBYRVSA-N

Compound name

(2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 151
References: 17553
Patents: 141.09021 Da
Monoisotopic Mass: -1.2
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]+	142.09749	129.3
[M+Na]+	164.07943	137.7
[M+NH4]+	159.12403	135.8
[M+K]+	180.05337	135.8
[M-H]-	140.08293	128.3
[M+Na-2H]-	162.06488	133.1
[M]+	141.08966	129.6
[M]-	141.09076	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe