CID 146155138

2301997-02-2

Structural Information

Molecular Formula
C12H17NO3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)C=C2
InChI
InChI=1S/C12H17NO3/c1-11(2,3)16-10(15)13-7-12(8-13)5-4-9(14)6-12/h4-5H,6-8H2,1-3H3
InChIKey
ZIYGJOYWWXXJCT-UHFFFAOYSA-N
Compound name
tert-butyl 7-oxo-2-azaspiro[3.4]oct-5-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 149.0
[M+Na]+ 246.11007 155.2
[M-H]- 222.11357 153.6
[M+NH4]+ 241.15467 163.8
[M+K]+ 262.08401 157.1
[M+H-H2O]+ 206.11811 139.7
[M+HCOO]- 268.11905 167.3
[M+CH3COO]- 282.13470 189.3
[M+Na-2H]- 244.09552 152.8
[M]+ 223.12030 158.5
[M]- 223.12140 158.5
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

No patent data available for this compound.