CID 57117

101832-71-7

Structural Information

Molecular Formula
C13H18N2O
SMILES
CC(C1=CNC2=C1C=C(C=C2)OC)C(C)N
InChI
InChI=1S/C13H18N2O/c1-8(9(2)14)12-7-15-13-5-4-10(16-3)6-11(12)13/h4-9,15H,14H2,1-3H3
InChIKey
SDDHMZPJZGCXMB-UHFFFAOYSA-N
Compound name
3-(5-methoxy-1H-indol-3-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1419 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 150.7
[M+Na]+ 241.131118 158.7
[M-H]- 217.134624 152.7
[M+NH4]+ 236.175723 169.9
[M+K]+ 257.105058 155.1
[M+H-H2O]+ 201.139160 144.3
[M+HCOO]- 263.140101 171.8
[M+CH3COO]- 277.155751 190.8
[M+Na-2H]- 239.116566 153.4
[M]+ 218.14135142 150.9
[M]- 218.14244858 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.