CID 98375

6543-83-5

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CC1(C2=C(CCN1)C3=CC=CC=C3N2)C(=O)O
InChI
InChI=1S/C13H14N2O2/c1-13(12(16)17)11-9(6-7-14-13)8-4-2-3-5-10(8)15-11/h2-5,14-15H,6-7H2,1H3,(H,16,17)
InChIKey
CNUNWGNKMNLSTM-UHFFFAOYSA-N
Compound name
1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

230.10553 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 151.3
[M+Na]+ 253.09475 163.0
[M+NH4]+ 248.13935 160.3
[M+K]+ 269.06869 157.2
[M-H]- 229.09825 151.2
[M+Na-2H]- 251.08020 156.0
[M]+ 230.10498 152.8
[M]- 230.10608 152.8
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.