CID 72207666

2-cbz-6-oxo-2-azaspiro[3.3]heptane

Structural Information

Molecular Formula
C14H15NO3
SMILES
C1C(=O)CC12CN(C2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C14H15NO3/c16-12-6-14(7-12)9-15(10-14)13(17)18-8-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
VKPRLSJKUKAFBP-UHFFFAOYSA-N
Compound name
benzyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

245.1052 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 145.4
[M+Na]+ 268.09442 149.8
[M-H]- 244.09792 151.9
[M+NH4]+ 263.13902 150.3
[M+K]+ 284.06836 153.5
[M+H-H2O]+ 228.10246 129.7
[M+HCOO]- 290.10340 162.5
[M+CH3COO]- 304.11905 201.7
[M+Na-2H]- 266.07987 150.0
[M]+ 245.10465 161.5
[M]- 245.10575 161.5
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