CID 487841

60509-46-8

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CCCCNCC1=CC(=CC=C1)OC

InChI

InChI=1S/C12H19NO/c1-3-4-8-13-10-11-6-5-7-12(9-11)14-2/h5-7,9,13H,3-4,8,10H2,1-2H3

InChIKey

YWAIQZVYGOQBMO-UHFFFAOYSA-N

Compound name

N-[(3-methoxyphenyl)methyl]butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 193.14667 Da
Monoisotopic Mass: 2.7
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]+	194.15395	144.6
[M+Na]+	216.13589	150.8
[M-H]-	192.13939	147.9
[M+NH4]+	211.18049	164.2
[M+K]+	232.10983	148.6
[M+H-H2O]+	176.14393	138.2
[M+HCOO]-	238.14487	169.5
[M+CH3COO]-	252.16052	188.4
[M+Na-2H]-	214.12134	150.8
[M]+	193.14612	146.7
[M]-	193.14722	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe