CID 15133217

6-benzylamino-1-hexanol

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

C1=CC=C(C=C1)CNCCCCCCO

InChI

InChI=1S/C13H21NO/c15-11-7-2-1-6-10-14-12-13-8-4-3-5-9-13/h3-5,8-9,14-15H,1-2,6-7,10-12H2

InChIKey

ILKSKQBXMQDBFT-UHFFFAOYSA-N

Compound name

6-(benzylamino)hexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 207.16231 Da
Monoisotopic Mass: 2.0
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]+	208.16959	149.7
[M+Na]+	230.15153	154.0
[M-H]-	206.15503	150.9
[M+NH4]+	225.19613	167.5
[M+K]+	246.12547	150.6
[M+H-H2O]+	190.15957	143.0
[M+HCOO]-	252.16051	172.6
[M+CH3COO]-	266.17616	187.7
[M+Na-2H]-	228.13698	155.5
[M]+	207.16176	149.8
[M]-	207.16286	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe