CID 28995273

3-[(tert-butoxy)methyl]aniline

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC(C)(C)OCC1=CC(=CC=C1)N

InChI

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

InChIKey

GBMBKGPSYIFCSP-UHFFFAOYSA-N

Compound name

3-[(2-methylpropan-2-yl)oxymethyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 179.13101 Da
Monoisotopic Mass: 1.5
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

No literature data available for this compound.

Patent stripe

patents stripe