CID 71306060

1251010-30-6

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC2(C1)CCC2N

InChI

InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-7-6-12(8-14)5-4-9(12)13/h9H,4-8,13H2,1-3H3

InChIKey

ARDLFRHCGVVGHP-UHFFFAOYSA-N

Compound name

tert-butyl 3-amino-6-azaspiro[3.4]octane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 226.16812 Da
Monoisotopic Mass: 1.0
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]+	227.175396	155.2
[M+Na]+	249.157338	159.1
[M-H]-	225.160844	158.6
[M+NH4]+	244.201943	169.2
[M+K]+	265.131278	160.9
[M+H-H2O]+	209.165380	145.1
[M+HCOO]-	271.166321	171.8
[M+CH3COO]-	285.181971	192.6
[M+Na-2H]-	247.142786	157.0
[M]+	226.16757142	160.7
[M]-	226.16866858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe