CID 3048012

3-methyl-5-carboxytetrahydro-4-carboline

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CC1CC2=C(C3=CC=CC=C3N2C(=O)O)NC1
InChI
InChI=1S/C13H14N2O2/c1-8-6-11-12(14-7-8)9-4-2-3-5-10(9)15(11)13(16)17/h2-5,8,14H,6-7H2,1H3,(H,16,17)
InChIKey
ZQYQYSBFYZIGBY-UHFFFAOYSA-N
Compound name
3-methyl-1,2,3,4-tetrahydropyrido[3,2-b]indole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 150.8
[M+Na]+ 253.09475 160.1
[M-H]- 229.09825 151.4
[M+NH4]+ 248.13935 169.1
[M+K]+ 269.06869 155.0
[M+H-H2O]+ 213.10279 144.2
[M+HCOO]- 275.10373 167.0
[M+CH3COO]- 289.11938 162.4
[M+Na-2H]- 251.08020 155.1
[M]+ 230.10498 149.1
[M]- 230.10608 149.1
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.