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]+ 295.128856 167.6
[M+Na]+ 317.110798 184.0
[M-H]- 293.114304 172.8
[M+NH4]+ 312.155403 184.0
[M+K]+ 333.084738 176.6
[M+H-H2O]+ 277.118840 160.9
[M+HCOO]- 339.119781 180.3
[M+CH3COO]- 353.135431 213.6
[M+Na-2H]- 315.096246 172.1
[M]+ 294.12103142 173.2
[M]- 294.12212858 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.