CID 52575

Isoindoline, n-isopropyl-, hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC(C)N1CC2=CC=CC=C2C1

InChI

InChI=1S/C11H15N/c1-9(2)12-7-10-5-3-4-6-11(10)8-12/h3-6,9H,7-8H2,1-2H3

InChIKey

CASMFKWYZWCAOH-UHFFFAOYSA-N

Compound name

2-propan-2-yl-1,3-dihydroisoindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 525
Patents: 161.12045 Da
Monoisotopic Mass: 2.1
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]+	162.127726	135.9
[M+Na]+	184.109668	143.5
[M-H]-	160.113174	138.9
[M+NH4]+	179.154273	158.4
[M+K]+	200.083608	141.1
[M+H-H2O]+	144.117710	129.7
[M+HCOO]-	206.118651	156.7
[M+CH3COO]-	220.134301	179.8
[M+Na-2H]-	182.095116	140.7
[M]+	161.11990142	134.8
[M]-	161.12099858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe