CID 14040082

111635-04-2

Structural Information

Molecular Formula
C10H11N
SMILES
C1C2CNC1C3=CC=CC=C23
InChI
InChI=1S/C10H11N/c1-2-4-9-8(3-1)7-5-10(9)11-6-7/h1-4,7,10-11H,5-6H2
InChIKey
ACLBUJFZNPDIQN-UHFFFAOYSA-N
Compound name
9-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

145.08914 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 129.7
[M+Na]+ 168.07836 138.4
[M-H]- 144.08186 131.3
[M+NH4]+ 163.12296 155.5
[M+K]+ 184.05230 134.4
[M+H-H2O]+ 128.08640 124.8
[M+HCOO]- 190.08734 149.5
[M+CH3COO]- 204.10299 143.4
[M+Na-2H]- 166.06381 135.9
[M]+ 145.08859 127.4
[M]- 145.08969 127.4
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