CID 55273998

37904-77-1

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CC(C)(CC1=CC=C(C=C1)N(C)C)O

InChI

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

InChIKey

VNMCGPNHDAHYSN-UHFFFAOYSA-N

Compound name

1-[4-(dimethylamino)phenyl]-2-methylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 193.14667 Da
Monoisotopic Mass: 2.6
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]+	194.153946	144.7
[M+Na]+	216.135888	151.1
[M-H]-	192.139394	148.5
[M+NH4]+	211.180493	164.3
[M+K]+	232.109828	149.9
[M+H-H2O]+	176.143930	139.1
[M+HCOO]-	238.144871	167.0
[M+CH3COO]-	252.160521	189.6
[M+Na-2H]-	214.121336	150.4
[M]+	193.14612142	145.7
[M]-	193.14721858	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe