CID 202976

13608-21-4

Structural Information

Molecular Formula

C₁₃H₁₆N₂O

SMILES

CC1CC2=C(CN1)NC3=C2C=C(C=C3)OC

InChI

InChI=1S/C13H16N2O/c1-8-5-10-11-6-9(16-2)3-4-12(11)15-13(10)7-14-8/h3-4,6,8,14-15H,5,7H2,1-2H3

InChIKey

OHURUCZSTOINHS-UHFFFAOYSA-N

Compound name

6-methoxy-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 216.12627 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.133546	148.3
[M+Na]+	239.115488	157.7
[M-H]-	215.118994	148.7
[M+NH4]+	234.160093	167.3
[M+K]+	255.089428	152.0
[M+H-H2O]+	199.123530	141.5
[M+HCOO]-	261.124471	165.1
[M+CH3COO]-	275.140121	160.1
[M+Na-2H]-	237.100936	153.7
[M]+	216.12572142	146.5
[M]-	216.12681858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe