CID 59803

103990-05-2

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

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

InChI

InChI=1S/C11H17NO/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-9H,12H2,1-3H3

InChIKey

QDLPHPPYMUBDRB-UHFFFAOYSA-N

Compound name

1-(4-propan-2-yloxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 34
Patents: 179.13101 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]+	180.13829	141.0
[M+Na]+	202.12023	152.3
[M+NH4]+	197.16483	149.5
[M+K]+	218.09417	146.7
[M-H]-	178.12373	143.6
[M+Na-2H]-	200.10568	147.1
[M]+	179.13046	143.3
[M]-	179.13156	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe