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 140.2
[M+Na]+ 210.12532 146.9
[M-H]- 186.12882 144.0
[M+NH4]+ 205.16992 162.1
[M+K]+ 226.09926 145.5
[M+H-H2O]+ 170.13336 135.4
[M+HCOO]- 232.13430 157.7
[M+CH3COO]- 246.14995 152.5
[M+Na-2H]- 208.11077 145.9
[M]+ 187.13555 135.8
[M]- 187.13665 135.8
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.