CID 45791325

Tert-butyl 1-cyano-6-azaspiro[2.5]octane-6-carboxylate

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC2C#N
InChI
InChI=1S/C13H20N2O2/c1-12(2,3)17-11(16)15-6-4-13(5-7-15)8-10(13)9-14/h10H,4-8H2,1-3H3
InChIKey
MYXLXKKWRQMPOP-UHFFFAOYSA-N
Compound name
tert-butyl 2-cyano-6-azaspiro[2.5]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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 156.8
[M+Na]+ 259.141698 170.6
[M-H]- 235.145204 162.9
[M+NH4]+ 254.186303 171.4
[M+K]+ 275.115638 164.6
[M+H-H2O]+ 219.149740 147.6
[M+HCOO]- 281.150681 171.6
[M+CH3COO]- 295.166331 203.9
[M+Na-2H]- 257.127146 162.3
[M]+ 236.15193142 154.8
[M]- 236.15302858 154.8
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