CID 53976987

58810-68-7

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

C1[C@@H]([C@H](C2=CC=CC=C2O1)N)O

InChI

InChI=1S/C9H11NO2/c10-9-6-3-1-2-4-8(6)12-5-7(9)11/h1-4,7,9,11H,5,10H2/t7-,9-/m0/s1

InChIKey

JVPRWKWUBCZNJO-CBAPKCEASA-N

Compound name

(3R,4S)-4-amino-3,4-dihydro-2H-chromen-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 165.07898 Da
Monoisotopic Mass: -0.1
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]+	166.08626	132.1
[M+Na]+	188.06820	144.4
[M+NH4]+	183.11280	141.4
[M+K]+	204.04214	138.8
[M-H]-	164.07170	136.4
[M+Na-2H]-	186.05365	137.5
[M]+	165.07843	135.0
[M]-	165.07953	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe