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

1
Patents

210.11569 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.122966 146.5
[M+Na]+ 233.104908 159.5
[M-H]- 209.108414 150.7
[M+NH4]+ 228.149513 167.7
[M+K]+ 249.078848 154.3
[M+H-H2O]+ 193.112950 139.4
[M+HCOO]- 255.113891 168.7
[M+CH3COO]- 269.129541 160.8
[M+Na-2H]- 231.090356 153.5
[M]+ 210.11514142 150.5
[M]- 210.11623858 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

patents stripe