CID 3064045

1-(4a,9a-dihydro-9h-pyrido(3,4-b)indol-1-ylmethyl)cyclopentanol hydrochloride

Structural Information

Molecular Formula
C17H20N2O
SMILES
C1CCC(C1)(CC2=NC=CC3C2NC4=CC=CC=C34)O
InChI
InChI=1S/C17H20N2O/c20-17(8-3-4-9-17)11-15-16-13(7-10-18-15)12-5-1-2-6-14(12)19-16/h1-2,5-7,10,13,16,19-20H,3-4,8-9,11H2
InChIKey
BSMKNTVPXHNYJU-UHFFFAOYSA-N
Compound name
1-(9,9a-dihydro-4aH-pyrido[3,4-b]indol-1-ylmethyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15756 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 164.0
[M+Na]+ 291.14678 170.9
[M-H]- 267.15028 167.0
[M+NH4]+ 286.19138 183.7
[M+K]+ 307.12072 164.5
[M+H-H2O]+ 251.15482 156.1
[M+HCOO]- 313.15576 178.9
[M+CH3COO]- 327.17141 174.2
[M+Na-2H]- 289.13223 166.0
[M]+ 268.15701 159.0
[M]- 268.15811 159.0
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.