CID 218296

40431-54-7

Structural Information

Molecular Formula
C12H16N2
SMILES
CN1CCC2C(C1)C3=CC=CC=C3N2
InChI
InChI=1S/C12H16N2/c1-14-7-6-12-10(8-14)9-4-2-3-5-11(9)13-12/h2-5,10,12-13H,6-8H2,1H3
InChIKey
KDOLICPJGKZRKU-UHFFFAOYSA-N
Compound name
2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

188.13135 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 142.7
[M+Na]+ 211.12057 150.0
[M-H]- 187.12407 143.4
[M+NH4]+ 206.16517 163.0
[M+K]+ 227.09451 145.3
[M+H-H2O]+ 171.12861 135.5
[M+HCOO]- 233.12955 158.3
[M+CH3COO]- 247.14520 154.2
[M+Na-2H]- 209.10602 147.6
[M]+ 188.13080 137.5
[M]- 188.13190 137.5
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

patents stripe