CID 138007647

2243509-90-0

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₄

SMILES

CC(C)(C)OC(=O)N1CCN2C(=CC=C2C13CCC3)C(=O)O

InChI

InChI=1S/C16H22N2O4/c1-15(2,3)22-14(21)18-10-9-17-11(13(19)20)5-6-12(17)16(18)7-4-8-16/h5-6H,4,7-10H2,1-3H3,(H,19,20)

InChIKey

MOQDQLVUOAEAHP-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxycarbonyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 306.15796 Da
Monoisotopic Mass: 1.7
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]+	307.165236	173.8
[M+Na]+	329.147178	178.3
[M-H]-	305.150684	175.9
[M+NH4]+	324.191783	183.9
[M+K]+	345.121118	179.3
[M+H-H2O]+	289.155220	162.9
[M+HCOO]-	351.156161	185.3
[M+CH3COO]-	365.171811	203.3
[M+Na-2H]-	327.132626	175.0
[M]+	306.15741142	181.9
[M]-	306.15850858	181.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.