CID 3071389

1-butyl-2,3,4,9-tetrahydro-1h-pyrido(3,4-b)indol-6-ol monohydrochloride

Structural Information

Molecular Formula
C15H20N2O
SMILES
CCCCC1C2=C(CCN1)C3=C(N2)C=CC(=C3)O
InChI
InChI=1S/C15H20N2O/c1-2-3-4-14-15-11(7-8-16-14)12-9-10(18)5-6-13(12)17-15/h5-6,9,14,16-18H,2-4,7-8H2,1H3
InChIKey
VZVIYHMAEYIHRF-UHFFFAOYSA-N
Compound name
1-butyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.15756 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 157.6
[M+Na]+ 267.14678 170.0
[M+NH4]+ 262.19138 165.9
[M+K]+ 283.12072 164.4
[M-H]- 243.15028 158.5
[M+Na-2H]- 265.13223 161.0
[M]+ 244.15701 159.5
[M]- 244.15811 159.5
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.