CID 121207726

Tert-butyl 7-amino-5-thia-2-azaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂S

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CC(CS2)N

InChI

InChI=1S/C11H20N2O2S/c1-10(2,3)15-9(14)13-6-11(7-13)4-8(12)5-16-11/h8H,4-7,12H2,1-3H3

InChIKey

NLXUFFJGHBSUJP-UHFFFAOYSA-N

Compound name

tert-butyl 7-amino-5-thia-2-azaspiro[3.4]octane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 244.12454 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]+	245.131816	155.3
[M+Na]+	267.113758	158.8
[M-H]-	243.117264	158.4
[M+NH4]+	262.158363	168.8
[M+K]+	283.087698	160.4
[M+H-H2O]+	227.121800	144.7
[M+HCOO]-	289.122741	166.9
[M+CH3COO]-	303.138391	193.3
[M+Na-2H]-	265.099206	155.1
[M]+	244.12399142	162.6
[M]-	244.12508858	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe