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

1
Patents

214.11061 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.117886 146.6
[M+Na]+ 237.099828 157.5
[M-H]- 213.103334 148.8
[M+NH4]+ 232.144433 166.5
[M+K]+ 253.073768 152.4
[M+H-H2O]+ 197.107870 139.5
[M+HCOO]- 259.108811 166.4
[M+CH3COO]- 273.124461 159.6
[M+Na-2H]- 235.085276 153.4
[M]+ 214.11006142 148.0
[M]- 214.11115858 148.0
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