CID 155820117

2567498-39-7

Structural Information

Molecular Formula

C₁₆H₂₅N₃O₂

SMILES

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

InChI

InChI=1S/C16H25N3O2/c1-15(2,3)21-14(20)19-10-9-18-12(11-17)5-6-13(18)16(19)7-4-8-16/h5-6H,4,7-11,17H2,1-3H3

InChIKey

CIBDVCZGGXONMV-UHFFFAOYSA-N

Compound name

tert-butyl 6-(aminomethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.19467 Da
Monoisotopic Mass: 0.7
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]+	292.201946	173.4
[M+Na]+	314.183888	177.9
[M-H]-	290.187394	176.2
[M+NH4]+	309.228493	184.6
[M+K]+	330.157828	178.2
[M+H-H2O]+	274.191930	161.5
[M+HCOO]-	336.192871	187.2
[M+CH3COO]-	350.208521	205.7
[M+Na-2H]-	312.169336	175.1
[M]+	291.19412142	180.0
[M]-	291.19521858	180.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.