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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13182 155.3
[M+Na]+ 267.11376 158.8
[M-H]- 243.11726 158.4
[M+NH4]+ 262.15836 168.8
[M+K]+ 283.08770 160.4
[M+H-H2O]+ 227.12180 144.7
[M+HCOO]- 289.12274 166.9
[M+CH3COO]- 303.13839 193.3
[M+Na-2H]- 265.09921 155.1
[M]+ 244.12399 162.6
[M]- 244.12509 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe