CID 549112

36191-26-1

Structural Information

Molecular Formula
C10H13N
SMILES
C1C=CCC23C1(N2)CC=CC3
InChI
InChI=1S/C10H13N/c1-2-6-10-8-4-3-7-9(10,5-1)11-10/h1-4,11H,5-8H2
InChIKey
DUYZYBHSKXBARX-UHFFFAOYSA-N
Compound name
11-azatricyclo[4.4.1.01,6]undeca-3,8-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.1048 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.112076 136.8
[M+Na]+ 170.094018 145.0
[M-H]- 146.097524 141.5
[M+NH4]+ 165.138623 155.6
[M+K]+ 186.067958 142.8
[M+H-H2O]+ 130.102060 130.3
[M+HCOO]- 192.103001 154.4
[M+CH3COO]- 206.118651 148.9
[M+Na-2H]- 168.079466 146.5
[M]+ 147.10425142 133.6
[M]- 147.10534858 133.6
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.