CID 215683

36065-74-4

Structural Information

Molecular Formula
C13H17N
SMILES
CN1CC2CC(C1)C3=CC=CC=C3C2
InChI
InChI=1S/C13H17N/c1-14-8-10-6-11-4-2-3-5-13(11)12(7-10)9-14/h2-5,10,12H,6-9H2,1H3
InChIKey
WZFQYRSZVPNHBH-UHFFFAOYSA-N
Compound name
11-methyl-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

187.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 140.7
[M+Na]+ 210.12532 147.2
[M-H]- 186.12882 142.4
[M+NH4]+ 205.16992 161.8
[M+K]+ 226.09926 143.3
[M+H-H2O]+ 170.13336 133.6
[M+HCOO]- 232.13430 156.2
[M+CH3COO]- 246.14995 152.4
[M+Na-2H]- 208.11077 148.5
[M]+ 187.13555 136.8
[M]- 187.13665 136.8
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