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
1
Annotation Hits

0
References

54
Patents

218.1419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 150.0
[M+Na]+ 241.13112 158.4
[M-H]- 217.13462 151.9
[M+NH4]+ 236.17572 169.4
[M+K]+ 257.10506 154.3
[M+H-H2O]+ 201.13916 143.5
[M+HCOO]- 263.14010 172.2
[M+CH3COO]- 277.15575 189.9
[M+Na-2H]- 239.11657 154.1
[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

patents stripe