CID 209088

9h-pyrido(3,4-b)indole, 1,3,9-trimethyl-, hydrochloride

Structural Information

Molecular Formula
C14H14N2
SMILES
CC1=CC2=C(C(=N1)C)N(C3=CC=CC=C32)C
InChI
InChI=1S/C14H14N2/c1-9-8-12-11-6-4-5-7-13(11)16(3)14(12)10(2)15-9/h4-8H,1-3H3
InChIKey
RKURTHLOENCKOZ-UHFFFAOYSA-N
Compound name
1,3,9-trimethylpyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11569 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12297 146.5
[M+Na]+ 233.10491 159.5
[M-H]- 209.10841 150.7
[M+NH4]+ 228.14951 167.7
[M+K]+ 249.07885 154.3
[M+H-H2O]+ 193.11295 139.4
[M+HCOO]- 255.11389 168.7
[M+CH3COO]- 269.12954 160.8
[M+Na-2H]- 231.09036 153.5
[M]+ 210.11514 150.5
[M]- 210.11624 150.5
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

No patent data available for this compound.