CID 284221

4-(dimethylamino)-3-isopropylphenol

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC(C)C1=C(C=CC(=C1)O)N(C)C

InChI

InChI=1S/C11H17NO/c1-8(2)10-7-9(13)5-6-11(10)12(3)4/h5-8,13H,1-4H3

InChIKey

SIVWYFOWUGCQAJ-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-3-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.13101 Da
Monoisotopic Mass: 2.8
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	140.2
[M+Na]+	202.120228	147.2
[M-H]-	178.123734	144.3
[M+NH4]+	197.164833	160.5
[M+K]+	218.094168	146.4
[M+H-H2O]+	162.128270	134.4
[M+HCOO]-	224.129211	163.3
[M+CH3COO]-	238.144861	188.3
[M+Na-2H]-	200.105676	143.7
[M]+	179.13046142	141.0
[M]-	179.13155858	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe