CID 15837921

Tert-butyl 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(C)(C)OC(=O)N1CC2CC1C=C2
InChI
InChI=1S/C11H17NO2/c1-11(2,3)14-10(13)12-7-8-4-5-9(12)6-8/h4-5,8-9H,6-7H2,1-3H3
InChIKey
ZATXHTCUZAWODK-UHFFFAOYSA-N
Compound name
tert-butyl 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

195.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 148.0
[M+Na]+ 218.11515 155.6
[M-H]- 194.11865 149.9
[M+NH4]+ 213.15975 171.7
[M+K]+ 234.08909 154.6
[M+H-H2O]+ 178.12319 143.6
[M+HCOO]- 240.12413 167.0
[M+CH3COO]- 254.13978 183.2
[M+Na-2H]- 216.10060 151.3
[M]+ 195.12538 149.8
[M]- 195.12648 149.8
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