CID 155977943

Tert-butyl 6-amino-octahydrocyclopenta[b][1,4]oxazine-4-carboxylate

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCOC2C1CC(C2)N
InChI
InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-4-5-16-10-7-8(13)6-9(10)14/h8-10H,4-7,13H2,1-3H3
InChIKey
GKFXDMXKYWGUTG-UHFFFAOYSA-N
Compound name
tert-butyl 6-amino-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16304 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17032 157.9
[M+Na]+ 265.15226 162.8
[M-H]- 241.15576 160.4
[M+NH4]+ 260.19686 175.3
[M+K]+ 281.12620 162.7
[M+H-H2O]+ 225.16030 152.2
[M+HCOO]- 287.16124 172.7
[M+CH3COO]- 301.17689 193.1
[M+Na-2H]- 263.13771 160.0
[M]+ 242.16249 155.1
[M]- 242.16359 155.1
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.