CID 71607260

Tert-butyl 3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate

Structural Information

Molecular Formula
C12H17NO3
SMILES
CC(C)(C)OC(=O)N1C2CC(=O)CC1C=C2
InChI
InChI=1S/C12H17NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h4-5,8-9H,6-7H2,1-3H3
InChIKey
JVCCJEOHXPAYHK-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxo-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

223.12085 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 150.1
[M+Na]+ 246.11007 159.1
[M+NH4]+ 241.15467 157.4
[M+K]+ 262.08401 156.7
[M-H]- 222.11357 148.6
[M+Na-2H]- 244.09552 151.1
[M]+ 223.12030 150.7
[M]- 223.12140 150.7
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

patents stripe