CID 424008

101418-34-2

Structural Information

Molecular Formula
C15H22N2
SMILES
CCN(C)C1=CC2=C3C(=C1)CCCN3CCC2
InChI
InChI=1S/C15H22N2/c1-3-16(2)14-10-12-6-4-8-17-9-5-7-13(11-14)15(12)17/h10-11H,3-9H2,1-2H3
InChIKey
VXIZGQJEIPKERR-UHFFFAOYSA-N
Compound name
N-ethyl-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

230.1783 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.18558 154.2
[M+Na]+ 253.16752 158.6
[M-H]- 229.17102 157.4
[M+NH4]+ 248.21212 173.4
[M+K]+ 269.14146 155.7
[M+H-H2O]+ 213.17556 145.9
[M+HCOO]- 275.17650 170.8
[M+CH3COO]- 289.19215 165.0
[M+Na-2H]- 251.15297 160.0
[M]+ 230.17775 151.4
[M]- 230.17885 151.4
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

No patent data available for this compound.