CID 102506052

172419-79-3

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

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

InChI

InChI=1S/C10H13NO2/c11-10-7(5-12)6-13-9-4-2-1-3-8(9)10/h1-4,7,10,12H,5-6,11H2/t7-,10-/m1/s1

InChIKey

SHVSFODEFVZZHJ-GMSGAONNSA-N

Compound name

[(3R,4R)-4-amino-3,4-dihydro-2H-chromen-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.09464 Da
Monoisotopic Mass: 0.7
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]+	180.101916	136.6
[M+Na]+	202.083858	143.6
[M-H]-	178.087364	139.9
[M+NH4]+	197.128463	155.4
[M+K]+	218.057798	141.8
[M+H-H2O]+	162.091900	130.8
[M+HCOO]-	224.092841	156.3
[M+CH3COO]-	238.108491	180.5
[M+Na-2H]-	200.069306	143.9
[M]+	179.09409142	133.5
[M]-	179.09518858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.