CID 97424

2-methyl-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole

Structural Information

Molecular Formula
C12H14N2
SMILES
CN1CCC2=C(C1)C3=CC=CC=C3N2
InChI
InChI=1S/C12H14N2/c1-14-7-6-12-10(8-14)9-4-2-3-5-11(9)13-12/h2-5,13H,6-8H2,1H3
InChIKey
FYHWPFXPFFPQRT-UHFFFAOYSA-N
Compound name
2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

208
Patents

186.11569 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 139.8
[M+Na]+ 209.10491 149.3
[M-H]- 185.10841 141.4
[M+NH4]+ 204.14951 160.5
[M+K]+ 225.07885 144.1
[M+H-H2O]+ 169.11295 132.7
[M+HCOO]- 231.11389 158.3
[M+CH3COO]- 245.12954 152.5
[M+Na-2H]- 207.09036 146.8
[M]+ 186.11514 137.6
[M]- 186.11624 137.6
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