CID 16776073

4-[(tert-butylamino)methyl]phenol hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC(C)(C)NCC1=CC=C(C=C1)O

InChI

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

InChIKey

XUJOHYQYXDSEFE-UHFFFAOYSA-N

Compound name

4-[(tert-butylamino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 179.13101 Da
Monoisotopic Mass: 1.5
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]+	180.138286	140.9
[M+Na]+	202.120228	147.7
[M-H]-	178.123734	143.4
[M+NH4]+	197.164833	160.5
[M+K]+	218.094168	145.3
[M+H-H2O]+	162.128270	135.7
[M+HCOO]-	224.129211	163.1
[M+CH3COO]-	238.144861	182.4
[M+Na-2H]-	200.105676	147.8
[M]+	179.13046142	140.2
[M]-	179.13155858	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe