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

49
Patents

284.1372 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.144476 164.0
[M+Na]+ 307.126418 169.2
[M-H]- 283.129924 165.9
[M+NH4]+ 302.171023 179.0
[M+K]+ 323.100358 169.8
[M+H-H2O]+ 267.134460 158.0
[M+HCOO]- 329.135401 176.5
[M+CH3COO]- 343.151051 193.3
[M+Na-2H]- 305.111866 166.8
[M]+ 284.13665142 163.0
[M]- 284.13774858 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