CID 3054344

71151-29-6

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

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

InChI

InChI=1S/C11H17NO/c1-12(2)9-11(13)8-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3

InChIKey

FJTKLVBCDXULJP-UHFFFAOYSA-N

Compound name

1-(dimethylamino)-3-phenylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 46
Patents: 179.13101 Da
Monoisotopic Mass: 1.6
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]+	180.13829	141.6
[M+Na]+	202.12023	146.7
[M-H]-	178.12373	144.8
[M+NH4]+	197.16483	161.2
[M+K]+	218.09417	145.7
[M+H-H2O]+	162.12827	135.2
[M+HCOO]-	224.12921	164.7
[M+CH3COO]-	238.14486	185.9
[M+Na-2H]-	200.10568	146.5
[M]+	179.13046	141.6
[M]-	179.13156	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe