CID 424012

Nsc160208

Structural Information

Molecular Formula
C14H20N2
SMILES
CN(C)C1=CC2=C3C(=C1)CCCN3CCC2
InChI
InChI=1S/C14H20N2/c1-15(2)13-9-11-5-3-7-16-8-4-6-12(10-13)14(11)16/h9-10H,3-8H2,1-2H3
InChIKey
BRXWOGNWFNEIHT-UHFFFAOYSA-N
Compound name
N,N-dimethyl-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

1
Patents

216.16264 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 149.5
[M+Na]+ 239.15186 154.4
[M-H]- 215.15536 152.9
[M+NH4]+ 234.19646 169.3
[M+K]+ 255.12580 151.8
[M+H-H2O]+ 199.15990 141.5
[M+HCOO]- 261.16084 166.5
[M+CH3COO]- 275.17649 160.8
[M+Na-2H]- 237.13731 155.9
[M]+ 216.16209 146.4
[M]- 216.16319 146.4
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

patents stripe