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]+ 237.159756 152.4
[M+Na]+ 259.141698 159.0
[M-H]- 235.145204 155.9
[M+NH4]+ 254.186303 165.1
[M+K]+ 275.115638 160.0
[M+H-H2O]+ 219.149740 136.6
[M+HCOO]- 281.150681 165.7
[M+CH3COO]- 295.166331 203.5
[M+Na-2H]- 257.127146 154.7
[M]+ 236.15193142 154.3
[M]- 236.15302858 154.3
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.