CID 25312884

Methyl 1h,2h,3h,4h,5h-pyrido[4,3-b]indole-6-carboxylate hydrochloride

Structural Information

Molecular Formula
C13H14N2O2
SMILES
COC(=O)C1=CC=CC2=C1NC3=C2CNCC3
InChI
InChI=1S/C13H14N2O2/c1-17-13(16)9-4-2-3-8-10-7-14-6-5-11(10)15-12(8)9/h2-4,14-15H,5-7H2,1H3
InChIKey
VNHMHKRFKYAGSJ-UHFFFAOYSA-N
Compound name
methyl 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.112806 150.4
[M+Na]+ 253.094748 158.7
[M-H]- 229.098254 150.6
[M+NH4]+ 248.139353 168.3
[M+K]+ 269.068688 153.6
[M+H-H2O]+ 213.102790 143.5
[M+HCOO]- 275.103731 166.6
[M+CH3COO]- 289.119381 161.6
[M+Na-2H]- 251.080196 155.5
[M]+ 230.10498142 148.3
[M]- 230.10607858 148.3
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.