CID 108273

54915-21-8

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]+ 188.14338 149.6
[M+Na]+ 210.12532 158.3
[M-H]- 186.12882 152.5
[M+NH4]+ 205.16992 170.3
[M+K]+ 226.09926 154.4
[M+H-H2O]+ 170.13336 149.5
[M+HCOO]- 232.13430 161.5
[M+CH3COO]- 246.14995 160.0
[M+Na-2H]- 208.11077 159.4
[M]+ 187.13555 148.2
[M]- 187.13665 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.