CID 177728

2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid methyl ester

Structural Information

Molecular Formula
C13H14N2O2
SMILES
COC(=O)C1CC2=C(CN1)NC3=CC=CC=C23
InChI
InChI=1S/C13H14N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-5,11,14-15H,6-7H2,1H3
InChIKey
QZGCHMZBGHVZFB-UHFFFAOYSA-N
Compound name
methyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

198
Patents

230.10553 Da
Monoisotopic Mass

1.4
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

literature stripe

Patent stripe

patents stripe