CID 46214

63990-97-6

Structural Information

Molecular Formula

C₁₄H₂₃NO

SMILES

CCCCCNC(C)C(C1=CC=CC=C1)O

InChI

InChI=1S/C14H23NO/c1-3-4-8-11-15-12(2)14(16)13-9-6-5-7-10-13/h5-7,9-10,12,14-16H,3-4,8,11H2,1-2H3

InChIKey

HGMMSHXXDWDKGM-UHFFFAOYSA-N

Compound name

2-(pentylamino)-1-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 221.17796 Da
Monoisotopic Mass: 2.7
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]+	222.185236	155.9
[M+Na]+	244.167178	159.3
[M-H]-	220.170684	157.1
[M+NH4]+	239.211783	173.1
[M+K]+	260.141118	156.7
[M+H-H2O]+	204.175220	149.2
[M+HCOO]-	266.176161	176.5
[M+CH3COO]-	280.191811	192.4
[M+Na-2H]-	242.152626	158.6
[M]+	221.17741142	155.1
[M]-	221.17850858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe