CID 24209755

91553-00-3

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

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

InChI

InChI=1S/C12H19NO/c1-5-12(2,3)9-6-7-11(14-4)10(13)8-9/h6-8H,5,13H2,1-4H3

InChIKey

RBSJXSHUNMWICQ-UHFFFAOYSA-N

Compound name

2-methoxy-5-(2-methylbutan-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 193.14667 Da
Monoisotopic Mass: 3.6
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]+	194.15395	144.9
[M+Na]+	216.13589	152.5
[M-H]-	192.13939	148.4
[M+NH4]+	211.18049	164.6
[M+K]+	232.10983	150.5
[M+H-H2O]+	176.14393	139.4
[M+HCOO]-	238.14487	167.5
[M+CH3COO]-	252.16052	189.3
[M+Na-2H]-	214.12134	150.0
[M]+	193.14612	145.9
[M]-	193.14722	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe