CID 60211

108098-37-9

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

CCCCCCNCC1=CC=CC=C1O

InChI

InChI=1S/C13H21NO/c1-2-3-4-7-10-14-11-12-8-5-6-9-13(12)15/h5-6,8-9,14-15H,2-4,7,10-11H2,1H3

InChIKey

JVFUIBIXLUFIPA-UHFFFAOYSA-N

Compound name

2-[(hexylamino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.16231 Da
Monoisotopic Mass: 3.8
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]+	208.16959	149.6
[M+Na]+	230.15153	154.9
[M-H]-	206.15503	151.3
[M+NH4]+	225.19613	167.8
[M+K]+	246.12547	151.6
[M+H-H2O]+	190.15957	143.2
[M+HCOO]-	252.16051	172.6
[M+CH3COO]-	266.17616	188.8
[M+Na-2H]-	228.13698	154.8
[M]+	207.16176	150.1
[M]-	207.16286	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe