CID 3020083

84697-13-2

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC(C)(C)OC1=CC=C(C=C1)CN

InChI

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

InChIKey

HOKKUMFXFSCQHJ-UHFFFAOYSA-N

Compound name

[4-[(2-methylpropan-2-yl)oxy]phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 179.13101 Da
Monoisotopic Mass: 1.7
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	140.9
[M+Na]+	202.12023	152.5
[M+NH4]+	197.16483	149.4
[M+K]+	218.09417	146.5
[M-H]-	178.12373	143.2
[M+Na-2H]-	200.10568	147.6
[M]+	179.13046	143.2
[M]-	179.13156	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe