CID 12995219

2-[(propylamino)methyl]phenol

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CCCNCC1=CC=CC=C1O

InChI

InChI=1S/C10H15NO/c1-2-7-11-8-9-5-3-4-6-10(9)12/h3-6,11-12H,2,7-8H2,1H3

InChIKey

NUHMTAQXBQRVOI-UHFFFAOYSA-N

Compound name

2-(propylaminomethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 165.11537 Da
Monoisotopic Mass: 1.9
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]+	166.12265	135.9
[M+Na]+	188.10459	142.5
[M-H]-	164.10809	138.1
[M+NH4]+	183.14919	155.8
[M+K]+	204.07853	139.9
[M+H-H2O]+	148.11263	130.1
[M+HCOO]-	210.11357	159.9
[M+CH3COO]-	224.12922	179.7
[M+Na-2H]-	186.09004	142.7
[M]+	165.11482	135.3
[M]-	165.11592	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe