CID 5493294

5h-pyrido(3,4-b)indole, 8,9-dihydro-7-methoxy-1-methyl-, acetate (salt)

Structural Information

Molecular Formula
C13H14N2O
SMILES
CC1=NC=CC2=C1NC3=C2CC=C(C3)OC
InChI
InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3,5-6,15H,4,7H2,1-2H3
InChIKey
PFWVFHNUUZUIPE-UHFFFAOYSA-N
Compound name
7-methoxy-1-methyl-8,9-dihydro-5H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.11061 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 146.5
[M+Na]+ 237.09983 161.4
[M+NH4]+ 232.14443 155.9
[M+K]+ 253.07377 155.4
[M-H]- 213.10333 148.7
[M+Na-2H]- 235.08528 152.6
[M]+ 214.11006 149.3
[M]- 214.11116 149.3
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.