CID 87767

Phenol, 2-amino-4-octyl-

Structural Information

Molecular Formula

C₁₄H₂₃NO

SMILES

CCCCCCCCC1=CC(=C(C=C1)O)N

InChI

InChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-12-9-10-14(16)13(15)11-12/h9-11,16H,2-8,15H2,1H3

InChIKey

WIGLOOILYJEWKY-UHFFFAOYSA-N

Compound name

2-amino-4-octylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 221.17796 Da
Monoisotopic Mass: 4.8
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	154.5
[M+Na]+	244.167178	160.4
[M-H]-	220.170684	155.9
[M+NH4]+	239.211783	172.2
[M+K]+	260.141118	156.5
[M+H-H2O]+	204.175220	148.2
[M+HCOO]-	266.176161	176.5
[M+CH3COO]-	280.191811	192.4
[M+Na-2H]-	242.152626	157.4
[M]+	221.17741142	154.8
[M]-	221.17850858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe