CID 12589047

Tert-butyl 11-azatricyclo(6.2.1.0^(2,7))undeca-2,4,6,9-tetraene-11-carboxylate

Structural Information

Molecular Formula
C15H17NO2
SMILES
CC(C)(C)OC(=O)N1C2C=CC1C3=CC=CC=C23
InChI
InChI=1S/C15H17NO2/c1-15(2,3)18-14(17)16-12-8-9-13(16)11-7-5-4-6-10(11)12/h4-9,12-13H,1-3H3
InChIKey
KTZZRAGNIAZODS-UHFFFAOYSA-N
Compound name
tert-butyl 11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

243.12593 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 159.7
[M+Na]+ 266.11515 168.7
[M-H]- 242.11865 163.0
[M+NH4]+ 261.15975 182.7
[M+K]+ 282.08909 165.8
[M+H-H2O]+ 226.12319 154.9
[M+HCOO]- 288.12413 178.5
[M+CH3COO]- 302.13978 193.5
[M+Na-2H]- 264.10060 163.7
[M]+ 243.12538 163.5
[M]- 243.12648 163.5
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.