CID 15645629

1-azatricyclo[6.3.1.0,4,12]dodeca-2,4,6,8(12)-tetraene

Structural Information

Molecular Formula
C11H11N
SMILES
C1CC2=CC=CC3=C2N(C1)C=C3
InChI
InChI=1S/C11H11N/c1-3-9-5-2-7-12-8-6-10(4-1)11(9)12/h1,3-4,6,8H,2,5,7H2
InChIKey
QCCKSFHMARIKSK-UHFFFAOYSA-N
Compound name
1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

298
Patents

157.08914 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09642 130.0
[M+Na]+ 180.07836 139.4
[M-H]- 156.08186 133.6
[M+NH4]+ 175.12296 154.0
[M+K]+ 196.05230 135.7
[M+H-H2O]+ 140.08640 123.7
[M+HCOO]- 202.08734 151.9
[M+CH3COO]- 216.10299 144.3
[M+Na-2H]- 178.06381 139.4
[M]+ 157.08859 130.3
[M]- 157.08969 130.3
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