CID 108273

Dtxsid50970249

Structural Information

Molecular Formula
C13H17N
SMILES
CN1CC2CCC(C1)C3=CC=CC=C23
InChI
InChI=1S/C13H17N/c1-14-8-10-6-7-11(9-14)13-5-3-2-4-12(10)13/h2-5,10-11H,6-9H2,1H3
InChIKey
BLGAZMQBTYEKON-UHFFFAOYSA-N
Compound name
10-methyl-10-azatricyclo[6.3.2.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.1361 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.143376 149.6
[M+Na]+ 210.125318 158.3
[M-H]- 186.128824 152.5
[M+NH4]+ 205.169923 170.3
[M+K]+ 226.099258 154.4
[M+H-H2O]+ 170.133360 149.5
[M+HCOO]- 232.134301 161.5
[M+CH3COO]- 246.149951 160.0
[M+Na-2H]- 208.110766 159.4
[M]+ 187.13555142 148.2
[M]- 187.13664858 148.2
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.