CID 13679707

4765-10-0

Structural Information

Molecular Formula
C13H18N2O
SMILES
CCC(CC1=CNC2=C1C=C(C=C2)OC)N
InChI
InChI=1S/C13H18N2O/c1-3-10(14)6-9-8-15-13-5-4-11(16-2)7-12(9)13/h4-5,7-8,10,15H,3,6,14H2,1-2H3
InChIKey
JHTPCKWBFLMJMQ-UHFFFAOYSA-N
Compound name
1-(5-methoxy-1H-indol-3-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
Patents

218.1419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 150.0
[M+Na]+ 241.131118 158.4
[M-H]- 217.134624 151.9
[M+NH4]+ 236.175723 169.4
[M+K]+ 257.105058 154.3
[M+H-H2O]+ 201.139160 143.5
[M+HCOO]- 263.140101 172.2
[M+CH3COO]- 277.155751 189.9
[M+Na-2H]- 239.116566 154.1
[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

patents stripe