CID 7139476

(3-propoxyphenyl)methanamine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CCCOC1=CC=CC(=C1)CN

InChI

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

InChIKey

FZZHOOAJILNNEV-UHFFFAOYSA-N

Compound name

(3-propoxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 165.11537 Da
Monoisotopic Mass: 1.8
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]+	166.12265	135.9
[M+Na]+	188.10459	143.0
[M-H]-	164.10809	139.1
[M+NH4]+	183.14919	156.3
[M+K]+	204.07853	140.9
[M+H-H2O]+	148.11263	129.9
[M+HCOO]-	210.11357	160.8
[M+CH3COO]-	224.12922	181.6
[M+Na-2H]-	186.09004	142.1
[M]+	165.11482	136.3
[M]-	165.11592	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe