CID 131302

Prisotinol

Structural Information

Molecular Formula

C₁₁H₁₈N₂O

SMILES

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

InChI

InChI=1S/C11H18N2O/c1-8(2)13-9(3)6-10-4-5-11(14)7-12-10/h4-5,7-9,13-14H,6H2,1-3H3

InChIKey

WQRPBKUCJBWQRT-UHFFFAOYSA-N

Compound name

6-[2-(propan-2-ylamino)propyl]pyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 127
Patents: 194.1419 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]+	195.14918	146.0
[M+Na]+	217.13112	151.7
[M-H]-	193.13462	146.8
[M+NH4]+	212.17572	163.2
[M+K]+	233.10506	149.7
[M+H-H2O]+	177.13916	139.2
[M+HCOO]-	239.14010	166.4
[M+CH3COO]-	253.15575	187.1
[M+Na-2H]-	215.11657	149.8
[M]+	194.14135	145.0
[M]-	194.14245	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe