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

13
Patents

267.14706 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.154336 161.0
[M+Na]+ 290.136278 165.9
[M-H]- 266.139784 165.1
[M+NH4]+ 285.180883 177.0
[M+K]+ 306.110218 166.2
[M+H-H2O]+ 250.144320 154.4
[M+HCOO]- 312.145261 174.6
[M+CH3COO]- 326.160911 193.4
[M+Na-2H]- 288.121726 166.1
[M]+ 267.14651142 158.7
[M]- 267.14760858 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