CID 59803

1-[4-(propan-2-yloxy)phenyl]ethan-1-amine

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	141.6
[M+Na]+	202.12023	147.7
[M-H]-	178.12373	144.8
[M+NH4]+	197.16483	161.3
[M+K]+	218.09417	146.4
[M+H-H2O]+	162.12827	135.6
[M+HCOO]-	224.12921	164.1
[M+CH3COO]-	238.14486	186.4
[M+Na-2H]-	200.10568	144.7
[M]+	179.13046	141.0
[M]-	179.13156	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe