CID 10583506

391202-29-2

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

COC1=CC=C(C=C1)CCCCN

InChI

InChI=1S/C11H17NO/c1-13-11-7-5-10(6-8-11)4-2-3-9-12/h5-8H,2-4,9,12H2,1H3

InChIKey

USDPTYHOEKPQAN-UHFFFAOYSA-N

Compound name

4-(4-methoxyphenyl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 188
Patents: 179.13101 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]+	180.13829	140.4
[M+Na]+	202.12023	152.3
[M+NH4]+	197.16483	149.1
[M+K]+	218.09417	145.1
[M-H]-	178.12373	143.4
[M+Na-2H]-	200.10568	147.2
[M]+	179.13046	142.9
[M]-	179.13156	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe