CID 4177235

473269-70-4

Structural Information

Molecular Formula

C₁₁H₁₈N₂O

SMILES

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

InChI

InChI=1S/C11H18N2O/c1-11(2,3)7-5-8(12)10(14-4)9(13)6-7/h5-6H,12-13H2,1-4H3

InChIKey

SDOPSILBEXNRPI-UHFFFAOYSA-N

Compound name

5-tert-butyl-2-methoxybenzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 168
Patents: 194.1419 Da
Monoisotopic Mass: 2.2
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]+	195.149176	145.1
[M+Na]+	217.131118	153.3
[M-H]-	193.134624	148.6
[M+NH4]+	212.175723	164.5
[M+K]+	233.105058	151.2
[M+H-H2O]+	177.139160	139.6
[M+HCOO]-	239.140101	168.4
[M+CH3COO]-	253.155751	191.2
[M+Na-2H]-	215.116566	149.2
[M]+	194.14135142	144.2
[M]-	194.14244858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe