CID 11414901

8-[(tert-butoxy)carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid

Structural Information

Molecular Formula
C13H20N2O5
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=NO2)C(=O)O
InChI
InChI=1S/C13H20N2O5/c1-12(2,3)19-11(18)15-6-4-13(5-7-15)8-9(10(16)17)14-20-13/h4-8H2,1-3H3,(H,16,17)
InChIKey
PEQZOGMNNBDAMT-UHFFFAOYSA-N
Compound name
8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

284.1372 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14448 164.0
[M+Na]+ 307.12642 169.2
[M-H]- 283.12992 165.9
[M+NH4]+ 302.17102 179.0
[M+K]+ 323.10036 169.8
[M+H-H2O]+ 267.13446 158.0
[M+HCOO]- 329.13540 176.5
[M+CH3COO]- 343.15105 193.3
[M+Na-2H]- 305.11187 166.8
[M]+ 284.13665 163.0
[M]- 284.13775 163.0
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