CID 10198058

230615-52-8

Structural Information

Molecular Formula
C11H13N
SMILES
C1C2CNCC1C3=CC=CC=C23
InChI
InChI=1S/C11H13N/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1/h1-4,8-9,12H,5-7H2
InChIKey
COMHUAMOJSTCMM-UHFFFAOYSA-N
Compound name
10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

222
Patents

159.1048 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.112076 132.6
[M+Na]+ 182.094018 139.8
[M-H]- 158.097524 133.4
[M+NH4]+ 177.138623 155.9
[M+K]+ 198.067958 135.4
[M+H-H2O]+ 142.102060 126.8
[M+HCOO]- 204.103001 149.7
[M+CH3COO]- 218.118651 145.0
[M+Na-2H]- 180.079466 140.0
[M]+ 159.10425142 128.2
[M]- 159.10534858 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe