CID 3071381

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

Structural Information

Molecular Formula
C17H24N2O
SMILES
CCCCCCC1C2=C(CCN1)C3=C(N2)C=CC(=C3)O
InChI
InChI=1S/C17H24N2O/c1-2-3-4-5-6-16-17-13(9-10-18-16)14-11-12(20)7-8-15(14)19-17/h7-8,11,16,18-20H,2-6,9-10H2,1H3
InChIKey
TURFXMDWYBSQOZ-UHFFFAOYSA-N
Compound name
1-hexyl-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

272.18887 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.19615 166.6
[M+Na]+ 295.17809 173.7
[M-H]- 271.18159 164.9
[M+NH4]+ 290.22269 182.6
[M+K]+ 311.15203 166.3
[M+H-H2O]+ 255.18613 159.3
[M+HCOO]- 317.18707 180.5
[M+CH3COO]- 331.20272 175.9
[M+Na-2H]- 293.16354 169.5
[M]+ 272.18832 164.3
[M]- 272.18942 164.3
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.