CID 149110

75837-23-9

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC1(C2=C(CCN1)C3=CC=CC=C3N2)C(=O)OC
InChI
InChI=1S/C14H16N2O2/c1-14(13(17)18-2)12-10(7-8-15-14)9-5-3-4-6-11(9)16-12/h3-6,15-16H,7-8H2,1-2H3
InChIKey
SKAHIUROFYZNQA-UHFFFAOYSA-N
Compound name
methyl 1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

19
Patents

244.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.128466 155.9
[M+Na]+ 267.110408 164.8
[M-H]- 243.113914 156.3
[M+NH4]+ 262.155013 175.3
[M+K]+ 283.084348 159.6
[M+H-H2O]+ 227.118450 149.1
[M+HCOO]- 289.119391 171.7
[M+CH3COO]- 303.135041 167.0
[M+Na-2H]- 265.095856 161.4
[M]+ 244.12064142 154.4
[M]- 244.12173858 154.4
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