CID 368691

Nsc639823

Structural Information

Molecular Formula
C14H18N2O5
SMILES
CC(=O)OC1(CC2C3C(C1O2)N3C(=O)OC(C)(C)C)C#N
InChI
InChI=1S/C14H18N2O5/c1-7(17)20-14(6-15)5-8-9-10(11(14)19-8)16(9)12(18)21-13(2,3)4/h8-11H,5H2,1-4H3
InChIKey
DYYPEHUEOWJADT-UHFFFAOYSA-N
Compound name
tert-butyl 6-acetyloxy-6-cyano-8-oxa-3-azatricyclo[3.2.1.02,4]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.12158 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12886 167.6
[M+Na]+ 317.11080 184.0
[M-H]- 293.11430 172.8
[M+NH4]+ 312.15540 184.0
[M+K]+ 333.08474 176.6
[M+H-H2O]+ 277.11884 160.9
[M+HCOO]- 339.11978 180.3
[M+CH3COO]- 353.13543 213.6
[M+Na-2H]- 315.09625 172.1
[M]+ 294.12103 173.2
[M]- 294.12213 173.2
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.