CID 12652120

81441-06-7

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC(C)(C)C1=CC(=C(C=C1)O)CN

InChI

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

InChIKey

PJASVRRDDNCQFM-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-4-tert-butylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 179.13101 Da
Monoisotopic Mass: 2.0
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	141.0
[M+Na]+	202.12023	152.5
[M+NH4]+	197.16483	149.1
[M+K]+	218.09417	147.0
[M-H]-	178.12373	142.9
[M+Na-2H]-	200.10568	146.9
[M]+	179.13046	143.1
[M]-	179.13156	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe