CID 99992

Benzenepentanol, delta-amino-

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

C1=CC=C(C=C1)CC(CCCO)N

InChI

InChI=1S/C11H17NO/c12-11(7-4-8-13)9-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9,12H2

InChIKey

ZUINCJZTERKRFJ-UHFFFAOYSA-N

Compound name

4-amino-5-phenylpentan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 179.13101 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]+	180.138286	142.0
[M+Na]+	202.120228	146.9
[M-H]-	178.123734	143.2
[M+NH4]+	197.164833	160.6
[M+K]+	218.094168	144.1
[M+H-H2O]+	162.128270	135.8
[M+HCOO]-	224.129211	164.0
[M+CH3COO]-	238.144861	181.8
[M+Na-2H]-	200.105676	146.5
[M]+	179.13046142	139.7
[M]-	179.13155858	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe