CID 58998

1-methyl-1,2,3,9a-tetrahydro-1-azafluorene hydrochloride

Structural Information

Molecular Formula
C13H15N
SMILES
CN1CCC=C2C1CC3=CC=CC=C32
InChI
InChI=1S/C13H15N/c1-14-8-4-7-12-11-6-3-2-5-10(11)9-13(12)14/h2-3,5-7,13H,4,8-9H2,1H3
InChIKey
RYXRBWDSOWSEGS-UHFFFAOYSA-N
Compound name
1-methyl-2,3,9,9a-tetrahydroindeno[2,1-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.127726 140.3
[M+Na]+ 208.109668 148.7
[M-H]- 184.113174 144.2
[M+NH4]+ 203.154273 163.0
[M+K]+ 224.083608 144.5
[M+H-H2O]+ 168.117710 133.8
[M+HCOO]- 230.118651 159.9
[M+CH3COO]- 244.134301 153.5
[M+Na-2H]- 206.095116 146.3
[M]+ 185.11990142 138.3
[M]- 185.12099858 138.3
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

No patent data available for this compound.