CID 209291

2,8-dimethyl-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole

Structural Information

Molecular Formula
C13H16N2
SMILES
CC1=CC2=C(C=C1)NC3=C2CN(CC3)C
InChI
InChI=1S/C13H16N2/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12/h3-4,7,14H,5-6,8H2,1-2H3
InChIKey
MUZFLDUALLSEBH-UHFFFAOYSA-N
Compound name
2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

283
Patents

200.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 144.8
[M+Na]+ 223.120568 154.8
[M-H]- 199.124074 146.6
[M+NH4]+ 218.165173 165.3
[M+K]+ 239.094508 149.4
[M+H-H2O]+ 183.128610 137.9
[M+HCOO]- 245.129551 163.0
[M+CH3COO]- 259.145201 157.4
[M+Na-2H]- 221.106016 150.6
[M]+ 200.13080142 143.4
[M]- 200.13189858 143.4
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