CID 45791470

3,5-di-tert-butyl-2-methoxyaniline

Structural Information

Molecular Formula

C₁₅H₂₅NO

SMILES

CC(C)(C)C1=CC(=C(C(=C1)N)OC)C(C)(C)C

InChI

InChI=1S/C15H25NO/c1-14(2,3)10-8-11(15(4,5)6)13(17-7)12(16)9-10/h8-9H,16H2,1-7H3

InChIKey

JPFIMHWMRKFKOW-UHFFFAOYSA-N

Compound name

3,5-ditert-butyl-2-methoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 235.19362 Da
Monoisotopic Mass: 4.6
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]+	236.20090	159.0
[M+Na]+	258.18284	170.2
[M+NH4]+	253.22744	166.6
[M+K]+	274.15678	164.9
[M-H]-	234.18634	160.7
[M+Na-2H]-	256.16829	164.1
[M]+	235.19307	161.2
[M]-	235.19417	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe