CID 24840124

9-methylaminojulolidine dihydrochloride

Structural Information

Molecular Formula
C13H18N2
SMILES
CNC1=CC2=C3C(=C1)CCCN3CCC2
InChI
InChI=1S/C13H18N2/c1-14-12-8-10-4-2-6-15-7-3-5-11(9-12)13(10)15/h8-9,14H,2-7H2,1H3
InChIKey
LJZAXQWPYFMKHE-UHFFFAOYSA-N
Compound name
N-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.147 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.154276 144.5
[M+Na]+ 225.136218 149.8
[M-H]- 201.139724 146.7
[M+NH4]+ 220.180823 164.3
[M+K]+ 241.110158 146.0
[M+H-H2O]+ 185.144260 136.9
[M+HCOO]- 247.145201 161.4
[M+CH3COO]- 261.160851 155.7
[M+Na-2H]- 223.121666 152.3
[M]+ 202.14645142 139.9
[M]- 202.14754858 139.9
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.