CID 27917

16536-90-6

Structural Information

Molecular Formula

C₁₃H₁₈N₂O

SMILES

COC1=CC2=C(C=C1)NC=C2CCCCN

InChI

InChI=1S/C13H18N2O/c1-16-11-5-6-13-12(8-11)10(9-15-13)4-2-3-7-14/h5-6,8-9,15H,2-4,7,14H2,1H3

InChIKey

LPQQKHOJMZGAJX-UHFFFAOYSA-N

Compound name

4-(5-methoxy-1H-indol-3-yl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 218.1419 Da
Monoisotopic Mass: 1.3
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]+	219.149176	149.1
[M+Na]+	241.131118	157.7
[M-H]-	217.134624	150.8
[M+NH4]+	236.175723	168.5
[M+K]+	257.105058	153.1
[M+H-H2O]+	201.139160	142.4
[M+HCOO]-	263.140101	172.3
[M+CH3COO]-	277.155751	189.1
[M+Na-2H]-	239.116566	154.4
[M]+	218.14135142	150.6
[M]-	218.14244858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe