CID 2733989

42142-52-9

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CNCCC(C1=CC=CC=C1)O

InChI

InChI=1S/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3

InChIKey

XXSDCGNHLFVSET-UHFFFAOYSA-N

Compound name

3-(methylamino)-1-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 643
Patents: 165.11537 Da
Monoisotopic Mass: 1.0
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]+	166.12265	136.9
[M+Na]+	188.10459	142.2
[M-H]-	164.10809	138.8
[M+NH4]+	183.14919	156.4
[M+K]+	204.07853	140.1
[M+H-H2O]+	148.11263	130.9
[M+HCOO]-	210.11357	159.8
[M+CH3COO]-	224.12922	179.4
[M+Na-2H]-	186.09004	143.0
[M]+	165.11482	135.2
[M]-	165.11592	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe