CID 57117

Indole, 3-(3-amino-2-butyl)-5-methoxy-, hydrochloride

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]+ 219.14918 150.7
[M+Na]+ 241.13112 158.7
[M-H]- 217.13462 152.7
[M+NH4]+ 236.17572 169.9
[M+K]+ 257.10506 155.1
[M+H-H2O]+ 201.13916 144.3
[M+HCOO]- 263.14010 171.8
[M+CH3COO]- 277.15575 190.8
[M+Na-2H]- 239.11657 153.4
[M]+ 218.14135 150.9
[M]- 218.14245 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.