CID 12250379

57944-79-3

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1C2=CC=CC=C2CN1CCO

InChI

InChI=1S/C10H13NO/c12-6-5-11-7-9-3-1-2-4-10(9)8-11/h1-4,12H,5-8H2

InChIKey

RPYLGKKUWYIZNY-UHFFFAOYSA-N

Compound name

2-(1,3-dihydroisoindol-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 163.09972 Da
Monoisotopic Mass: 0.6
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]+	164.10700	134.4
[M+Na]+	186.08894	142.3
[M-H]-	162.09244	136.1
[M+NH4]+	181.13354	156.1
[M+K]+	202.06288	139.2
[M+H-H2O]+	146.09698	128.4
[M+HCOO]-	208.09792	155.3
[M+CH3COO]-	222.11357	175.2
[M+Na-2H]-	184.07439	140.5
[M]+	163.09917	133.2
[M]-	163.10027	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe