CID 145874283

2375261-51-9

Structural Information

Molecular Formula
C15H20N2O5
SMILES
CC(C)(C)OC(=O)N1CCN2C(=CC=C2C13COC3)C(=O)O
InChI
InChI=1S/C15H20N2O5/c1-14(2,3)22-13(20)17-7-6-16-10(12(18)19)4-5-11(16)15(17)8-21-9-15/h4-5H,6-9H2,1-3H3,(H,18,19)
InChIKey
DAOHRYAUEWNEOH-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,3'-oxetane]-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1372 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14448 169.2
[M+Na]+ 331.12642 173.9
[M-H]- 307.12992 172.1
[M+NH4]+ 326.17102 177.9
[M+K]+ 347.10036 176.8
[M+H-H2O]+ 291.13446 158.5
[M+HCOO]- 353.13540 180.3
[M+CH3COO]- 367.15105 202.8
[M+Na-2H]- 329.11187 172.0
[M]+ 308.13665 178.9
[M]- 308.13775 178.9
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.