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]+ 178.15903 144.0
[M+Na]+ 200.14097 147.9
[M-H]- 176.14447 146.7
[M+NH4]+ 195.18557 167.9
[M+K]+ 216.11491 144.1
[M+H-H2O]+ 160.14901 136.6
[M+HCOO]- 222.14995 158.9
[M+CH3COO]- 236.16560 154.8
[M+Na-2H]- 198.12642 149.2
[M]+ 177.15120 133.9
[M]- 177.15230 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.