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 144.4
[M+Na]+ 222.11274 155.6
[M-H]- 198.11624 148.3
[M+NH4]+ 217.15734 165.4
[M+K]+ 238.08668 145.6
[M+H-H2O]+ 182.12078 139.8
[M+HCOO]- 244.12172 165.2
[M+CH3COO]- 258.13737 180.8
[M+Na-2H]- 220.09819 153.9
[M]+ 199.12297 145.0
[M]- 199.12407 145.0
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.