CID 69613752

1251004-19-9

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2CC(=O)[C@@H]2C1
InChI
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-5-7-4-9(13)8(7)6-12/h7-8H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKey
SSFIFLZYPGAHGB-JGVFFNPUSA-N
Compound name
tert-butyl (1R,5S)-6-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

211.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 146.5
[M+Na]+ 234.11007 152.4
[M-H]- 210.11357 149.5
[M+NH4]+ 229.15467 160.6
[M+K]+ 250.08401 154.6
[M+H-H2O]+ 194.11811 136.9
[M+HCOO]- 256.11905 163.3
[M+CH3COO]- 270.13470 189.5
[M+Na-2H]- 232.09552 148.9
[M]+ 211.12030 156.2
[M]- 211.12140 156.2
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

patents stripe