CID 3071387

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

Structural Information

Molecular Formula
C13H16N2O
SMILES
CCC1C2=C(CCN1)C3=C(N2)C=CC(=C3)O
InChI
InChI=1S/C13H16N2O/c1-2-11-13-9(5-6-14-11)10-7-8(16)3-4-12(10)15-13/h3-4,7,11,14-16H,2,5-6H2,1H3
InChIKey
JYRSBENZEDBDCG-UHFFFAOYSA-N
Compound name
1-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

216.12627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 148.5
[M+Na]+ 239.115488 157.5
[M-H]- 215.118994 147.6
[M+NH4]+ 234.160093 166.8
[M+K]+ 255.089428 151.0
[M+H-H2O]+ 199.123530 142.1
[M+HCOO]- 261.124471 163.9
[M+CH3COO]- 275.140121 159.6
[M+Na-2H]- 237.100936 153.6
[M]+ 216.12572142 145.0
[M]- 216.12681858 145.0
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

patents stripe