CID 82075869

(5-(tert-butyl)-2-methoxyphenyl)methanamine

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)CN

InChI

InChI=1S/C12H19NO/c1-12(2,3)10-5-6-11(14-4)9(7-10)8-13/h5-7H,8,13H2,1-4H3

InChIKey

HXWJVGQRJZZUOD-UHFFFAOYSA-N

Compound name

(5-tert-butyl-2-methoxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 193.14667 Da
Monoisotopic Mass: 2.4
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	145.1
[M+Na]+	216.13589	157.0
[M+NH4]+	211.18049	153.5
[M+K]+	232.10983	150.9
[M-H]-	192.13939	147.5
[M+Na-2H]-	214.12134	151.4
[M]+	193.14612	147.5
[M]-	193.14722	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe