CID 25895951

2792186-21-9

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1C2=CC=CC=C2CC1(CN)O

InChI

InChI=1S/C10H13NO/c11-7-10(12)5-8-3-1-2-4-9(8)6-10/h1-4,12H,5-7,11H2

InChIKey

XBYIWCFPKUDVOF-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-1,3-dihydroinden-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 163.09972 Da
Monoisotopic Mass: 0.5
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	133.8
[M+Na]+	186.08894	141.9
[M-H]-	162.09244	136.8
[M+NH4]+	181.13354	158.3
[M+K]+	202.06288	138.5
[M+H-H2O]+	146.09698	129.2
[M+HCOO]-	208.09792	156.5
[M+CH3COO]-	222.11357	176.3
[M+Na-2H]-	184.07439	140.6
[M]+	163.09917	130.8
[M]-	163.10027	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe