CID 137935500

2248347-40-0

Structural Information

Molecular Formula

C₁₆H₂₆N₂O₄

SMILES

CC(C)(C)OC(=O)N1CCN2CCCC2C13CC(C3)C(=O)O

InChI

InChI=1S/C16H26N2O4/c1-15(2,3)22-14(21)18-8-7-17-6-4-5-12(17)16(18)9-11(10-16)13(19)20/h11-12H,4-10H2,1-3H3,(H,19,20)

InChIKey

OITFRDKMOFAQMO-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxycarbonyl]spiro[3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,3'-cyclobutane]-1'-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.18927 Da
Monoisotopic Mass: -0.9
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]+	311.196546	175.8
[M+Na]+	333.178488	178.3
[M-H]-	309.181994	177.0
[M+NH4]+	328.223093	185.6
[M+K]+	349.152428	179.6
[M+H-H2O]+	293.186530	165.1
[M+HCOO]-	355.187471	184.3
[M+CH3COO]-	369.203121	204.1
[M+Na-2H]-	331.163936	175.2
[M]+	310.18872142	181.0
[M]-	310.18981858	181.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.