CID 89708527

1346229-50-2

Structural Information

Molecular Formula
C14H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C=CO2
InChI
InChI=1S/C14H21NO4/c1-13(2,3)19-12(17)15-7-5-14(6-8-15)10-11(16)4-9-18-14/h4,9H,5-8,10H2,1-3H3
InChIKey
NGVQWGUTUXGNJC-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxo-1-oxa-9-azaspiro[5.5]undec-2-ene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

267.14706 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15434 161.0
[M+Na]+ 290.13628 165.9
[M-H]- 266.13978 165.1
[M+NH4]+ 285.18088 177.0
[M+K]+ 306.11022 166.2
[M+H-H2O]+ 250.14432 154.4
[M+HCOO]- 312.14526 174.6
[M+CH3COO]- 326.16091 193.4
[M+Na-2H]- 288.12173 166.1
[M]+ 267.14651 158.7
[M]- 267.14761 158.7
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