CID 105520871

1781357-41-2

Structural Information

Molecular Formula

C₁₄H₂₂N₄O₂

SMILES

CC(C)(C)OC(=O)N1CCC2(C1)C3=C(CCN2)NC=N3

InChI

InChI=1S/C14H22N4O2/c1-13(2,3)20-12(19)18-7-5-14(8-18)11-10(4-6-17-14)15-9-16-11/h9,17H,4-8H2,1-3H3,(H,15,16)

InChIKey

SYPPZHWZYJYVER-UHFFFAOYSA-N

Compound name

tert-butyl spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,3'-pyrrolidine]-1'-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.1743 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]+	279.181576	170.6
[M+Na]+	301.163518	176.4
[M-H]-	277.167024	169.1
[M+NH4]+	296.208123	186.7
[M+K]+	317.137458	172.8
[M+H-H2O]+	261.171560	162.9
[M+HCOO]-	323.172501	180.3
[M+CH3COO]-	337.188151	190.9
[M+Na-2H]-	299.148966	171.7
[M]+	278.17375142	165.2
[M]-	278.17484858	165.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.