CID 27917

1h-indole, 3-(4-aminobutyl)-5-methoxy-, monohydrochloride

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

4
Patents

218.1419 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 149.1
[M+Na]+ 241.13112 157.7
[M-H]- 217.13462 150.8
[M+NH4]+ 236.17572 168.5
[M+K]+ 257.10506 153.1
[M+H-H2O]+ 201.13916 142.4
[M+HCOO]- 263.14010 172.3
[M+CH3COO]- 277.15575 189.1
[M+Na-2H]- 239.11657 154.4
[M]+ 218.14135 150.6
[M]- 218.14245 150.6
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