CID 612004

1-isobutyl-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid acetate

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CC(C)CC1C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2
InChI
InChI=1S/C16H20N2O2/c1-9(2)7-13-15-11(8-14(17-13)16(19)20)10-5-3-4-6-12(10)18-15/h3-6,9,13-14,17-18H,7-8H2,1-2H3,(H,19,20)
InChIKey
MKRFXFYXNSJWRC-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

29
Patents

272.15247 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 164.2
[M+Na]+ 295.14169 175.1
[M+NH4]+ 290.18629 171.2
[M+K]+ 311.11563 171.5
[M-H]- 271.14519 163.9
[M+Na-2H]- 293.12714 166.1
[M]+ 272.15192 165.4
[M]- 272.15302 165.4
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