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

135
Patents

159.1048 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.11208 132.6
[M+Na]+ 182.09402 139.8
[M-H]- 158.09752 133.4
[M+NH4]+ 177.13862 155.9
[M+K]+ 198.06796 135.4
[M+H-H2O]+ 142.10206 126.8
[M+HCOO]- 204.10300 149.7
[M+CH3COO]- 218.11865 145.0
[M+Na-2H]- 180.07947 140.0
[M]+ 159.10425 128.2
[M]- 159.10535 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