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]+ 244.133206 159.7
[M+Na]+ 266.115148 168.7
[M-H]- 242.118654 163.0
[M+NH4]+ 261.159753 182.7
[M+K]+ 282.089088 165.8
[M+H-H2O]+ 226.123190 154.9
[M+HCOO]- 288.124131 178.5
[M+CH3COO]- 302.139781 193.5
[M+Na-2H]- 264.100596 163.7
[M]+ 243.12538142 163.5
[M]- 243.12647858 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

literature stripe

Patent stripe

patents stripe