CID 167730773

Tert-butyl 2-{6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl}acetate, trifluoroacetic acid

Structural Information

Molecular Formula
C11H18N2O4
SMILES
CC(C)(C)OC(=O)CN1C(=O)OCC12CNC2
InChI
InChI=1S/C11H18N2O4/c1-10(2,3)17-8(14)4-13-9(15)16-7-11(13)5-12-6-11/h12H,4-7H2,1-3H3
InChIKey
VSNKZDBDMBONPS-UHFFFAOYSA-N
Compound name
tert-butyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12666 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13394 152.3
[M+Na]+ 265.11588 156.9
[M-H]- 241.11938 154.2
[M+NH4]+ 260.16048 162.7
[M+K]+ 281.08982 160.0
[M+H-H2O]+ 225.12392 142.2
[M+HCOO]- 287.12486 165.8
[M+CH3COO]- 301.14051 189.8
[M+Na-2H]- 263.10133 156.0
[M]+ 242.12611 160.6
[M]- 242.12721 160.6
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.