CID 41529

(+-)-alpha-(1-(isopropylamino)ethyl)benzyl alcohol hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CC(C)NC(C)C(C1=CC=CC=C1)O

InChI

InChI=1S/C12H19NO/c1-9(2)13-10(3)12(14)11-7-5-4-6-8-11/h4-10,12-14H,1-3H3

InChIKey

DPMPTDANQUZYEX-UHFFFAOYSA-N

Compound name

1-phenyl-2-(propan-2-ylamino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 193.14667 Da
Monoisotopic Mass: 1.7
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]+	194.15395	146.5
[M+Na]+	216.13589	156.5
[M+NH4]+	211.18049	154.4
[M+K]+	232.10983	151.3
[M-H]-	192.13939	148.4
[M+Na-2H]-	214.12134	152.0
[M]+	193.14612	148.2
[M]-	193.14722	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe