CID 4201062

96229-06-0

Structural Information

Molecular Formula
C13H15N2
SMILES
CN1C2=CC=CC=C2C3=C1C=[N+](CC3)C
InChI
InChI=1S/C13H15N2/c1-14-8-7-11-10-5-3-4-6-12(10)15(2)13(11)9-14/h3-6,9H,7-8H2,1-2H3/q+1
InChIKey
NMGLXEPPJQDGIR-UHFFFAOYSA-N
Compound name
2,9-dimethyl-3,4-dihydropyrido[3,4-b]indol-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12352 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.13080 140.3
[M+Na]+ 222.11274 158.2
[M+NH4]+ 217.15734 151.8
[M+K]+ 238.08668 152.1
[M-H]- 198.11624 145.3
[M+Na-2H]- 220.09819 148.6
[M]+ 199.12297 144.8
[M]- 199.12407 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.