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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	309.144476	169.2
[M+Na]+	331.126418	173.9
[M-H]-	307.129924	172.1
[M+NH4]+	326.171023	177.9
[M+K]+	347.100358	176.8
[M+H-H2O]+	291.134460	158.5
[M+HCOO]-	353.135401	180.3
[M+CH3COO]-	367.151051	202.8
[M+Na-2H]-	329.111866	172.0
[M]+	308.13665142	178.9
[M]-	308.13774858	178.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.