CID 25312884

1169955-52-5

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]+ 231.11281 150.4
[M+Na]+ 253.09475 158.7
[M-H]- 229.09825 150.6
[M+NH4]+ 248.13935 168.3
[M+K]+ 269.06869 153.6
[M+H-H2O]+ 213.10279 143.5
[M+HCOO]- 275.10373 166.6
[M+CH3COO]- 289.11938 161.6
[M+Na-2H]- 251.08020 155.5
[M]+ 230.10498 148.3
[M]- 230.10608 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.