CID 91800858

1638763-38-8

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CCC(C2)N

InChI

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

InChIKey

CTDSKHCAIGOHQU-UHFFFAOYSA-N

Compound name

tert-butyl 6-amino-2-azaspiro[3.4]octane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
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]+	227.17540	155.2
[M+Na]+	249.15734	159.1
[M-H]-	225.16084	158.6
[M+NH4]+	244.20194	169.2
[M+K]+	265.13128	160.9
[M+H-H2O]+	209.16538	145.1
[M+HCOO]-	271.16632	171.8
[M+CH3COO]-	285.18197	192.6
[M+Na-2H]-	247.14279	157.0
[M]+	226.16757	160.7
[M]-	226.16867	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe