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]+ 231.112806 150.8
[M+Na]+ 253.094748 160.1
[M-H]- 229.098254 151.4
[M+NH4]+ 248.139353 169.1
[M+K]+ 269.068688 155.0
[M+H-H2O]+ 213.102790 144.2
[M+HCOO]- 275.103731 167.0
[M+CH3COO]- 289.119381 162.4
[M+Na-2H]- 251.080196 155.1
[M]+ 230.10498142 149.1
[M]- 230.10607858 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.