CID 589044

63828-79-5

Structural Information

Molecular Formula
C12H15N
SMILES
CN1CC2CCC1C3=CC=CC=C23
InChI
InChI=1S/C12H15N/c1-13-8-9-6-7-12(13)11-5-3-2-4-10(9)11/h2-5,9,12H,6-8H2,1H3
InChIKey
IQTPDEXMNFIZKU-UHFFFAOYSA-N
Compound name
9-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

173.12045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.127726 135.8
[M+Na]+ 196.109668 141.3
[M-H]- 172.113174 134.2
[M+NH4]+ 191.154273 159.5
[M+K]+ 212.083608 137.9
[M+H-H2O]+ 156.117710 129.1
[M+HCOO]- 218.118651 147.9
[M+CH3COO]- 232.134301 147.0
[M+Na-2H]- 194.095116 147.3
[M]+ 173.11990142 136.0
[M]- 173.12099858 136.0
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