CID 129317723

Tert-butyl 6-cyano-2-azaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCC(C2)C#N
InChI
InChI=1S/C13H20N2O2/c1-12(2,3)17-11(16)15-8-13(9-15)5-4-10(6-13)7-14/h10H,4-6,8-9H2,1-3H3
InChIKey
CIUGZGBEMDTZCR-UHFFFAOYSA-N
Compound name
tert-butyl 6-cyano-2-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.4
[M+Na]+ 259.14170 160.2
[M+NH4]+ 254.18630 157.6
[M+K]+ 275.11564 154.7
[M-H]- 235.14520 146.8
[M+Na-2H]- 257.12715 155.5
[M]+ 236.15193 152.3
[M]- 236.15303 152.3
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

No patent data available for this compound.