CID 5240602

4-(benzylamino)-4-methyl-2-pentanol

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

CC(CC(C)(C)NCC1=CC=CC=C1)O

InChI

InChI=1S/C13H21NO/c1-11(15)9-13(2,3)14-10-12-7-5-4-6-8-12/h4-8,11,14-15H,9-10H2,1-3H3

InChIKey

PBSANKVAPLDYBT-UHFFFAOYSA-N

Compound name

4-(benzylamino)-4-methylpentan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.16231 Da
Monoisotopic Mass: 2.0
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]+	208.16959	150.5
[M+Na]+	230.15153	160.8
[M+NH4]+	225.19613	158.4
[M+K]+	246.12547	155.0
[M-H]-	206.15503	152.2
[M+Na-2H]-	228.13698	156.4
[M]+	207.16176	152.4
[M]-	207.16286	152.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.