CID 3059554

76776-97-1

Structural Information

Molecular Formula
C13H17N
SMILES
CN1CCCC2CC1C3=CC=CC=C23
InChI
InChI=1S/C13H17N/c1-14-8-4-5-10-9-13(14)12-7-3-2-6-11(10)12/h2-3,6-7,10,13H,4-5,8-9H2,1H3
InChIKey
NKLZYDUKZOHIGB-UHFFFAOYSA-N
Compound name
9-methyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

187.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 138.6
[M+Na]+ 210.12532 149.2
[M+NH4]+ 205.16992 148.6
[M+K]+ 226.09926 144.7
[M-H]- 186.12882 140.7
[M+Na-2H]- 208.11077 142.8
[M]+ 187.13555 140.8
[M]- 187.13665 140.8
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

No patent data available for this compound.