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: 205
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]+	180.138286	140.5
[M+Na]+	202.120228	147.2
[M-H]-	178.123734	143.5
[M+NH4]+	197.164833	160.4
[M+K]+	218.094168	144.9
[M+H-H2O]+	162.128270	134.3
[M+HCOO]-	224.129211	165.1
[M+CH3COO]-	238.144861	184.7
[M+Na-2H]-	200.105676	146.2
[M]+	179.13046142	141.2
[M]-	179.13155858	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe