CID 47258

Benzyl alcohol, alpha-(n-aminopentyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

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

InChI

InChI=1S/C12H19NO/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8,11-12,14H,2-3,9,13H2,1H3

InChIKey

AHXZVAIUUQKGJE-UHFFFAOYSA-N

Compound name

2-amino-1-phenylhexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 193.14667 Da
Monoisotopic Mass: 2.3
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	147.2
[M+Na]+	216.13589	151.5
[M-H]-	192.13939	148.3
[M+NH4]+	211.18049	165.2
[M+K]+	232.10983	149.0
[M+H-H2O]+	176.14393	141.0
[M+HCOO]-	238.14487	167.9
[M+CH3COO]-	252.16052	185.7
[M+Na-2H]-	214.12134	149.9
[M]+	193.14612	144.7
[M]-	193.14722	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe