CID 55296443

100368-89-6

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CC(C)OC1=CC2=C(C=C1)C(CC2)N

InChI

InChI=1S/C12H17NO/c1-8(2)14-10-4-5-11-9(7-10)3-6-12(11)13/h4-5,7-8,12H,3,6,13H2,1-2H3

InChIKey

GXSQCZRBFGYKAL-UHFFFAOYSA-N

Compound name

5-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.13101 Da
Monoisotopic Mass: 2.0
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]+	192.13829	143.3
[M+Na]+	214.12023	150.5
[M-H]-	190.12373	147.4
[M+NH4]+	209.16483	165.6
[M+K]+	230.09417	148.0
[M+H-H2O]+	174.12827	137.8
[M+HCOO]-	236.12921	165.7
[M+CH3COO]-	250.14486	187.4
[M+Na-2H]-	212.10568	146.4
[M]+	191.13046	142.2
[M]-	191.13156	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe