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

2
Annotation Hits: 0
References: 49
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]+	180.138286	140.9
[M+Na]+	202.120228	148.2
[M-H]-	178.123734	144.3
[M+NH4]+	197.164833	161.0
[M+K]+	218.094168	146.3
[M+H-H2O]+	162.128270	135.5
[M+HCOO]-	224.129211	164.0
[M+CH3COO]-	238.144861	184.4
[M+Na-2H]-	200.105676	147.3
[M]+	179.13046142	141.1
[M]-	179.13155858	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe