CID 205281

17730-84-6

Structural Information

Molecular Formula
C12H19N
SMILES
C1CCC23CC=CCC2(C1)CNC3
InChI
InChI=1S/C12H19N/c1-2-6-12-8-4-3-7-11(12,5-1)9-13-10-12/h1-2,13H,3-10H2
InChIKey
OOPGCDRVXQLGPA-UHFFFAOYSA-N
Compound name
12-azatricyclo[4.4.3.01,6]tridec-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.15175 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 144.0
[M+Na]+ 200.140968 147.9
[M-H]- 176.144474 146.7
[M+NH4]+ 195.185573 167.9
[M+K]+ 216.114908 144.1
[M+H-H2O]+ 160.149010 136.6
[M+HCOO]- 222.149951 158.9
[M+CH3COO]- 236.165601 154.8
[M+Na-2H]- 198.126416 149.2
[M]+ 177.15120142 133.9
[M]- 177.15229858 133.9
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.