CID 46268

63991-32-2

Structural Information

Molecular Formula

C₁₄H₂₃NO

SMILES

CCCCCCC(C(C1=CC=CC=C1)O)N

InChI

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

InChIKey

QJTHXZQVXLUYAM-UHFFFAOYSA-N

Compound name

2-amino-1-phenyloctan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 221.17796 Da
Monoisotopic Mass: 3.1
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	156.4
[M+Na]+	244.167178	159.8
[M-H]-	220.170684	157.1
[M+NH4]+	239.211783	173.3
[M+K]+	260.141118	156.8
[M+H-H2O]+	204.175220	149.7
[M+HCOO]-	266.176161	176.4
[M+CH3COO]-	280.191811	191.7
[M+Na-2H]-	242.152626	158.0
[M]+	221.17741142	154.6
[M]-	221.17850858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe