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

20
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 156.8
[M+Na]+ 259.14170 170.6
[M-H]- 235.14520 162.9
[M+NH4]+ 254.18630 171.4
[M+K]+ 275.11564 164.6
[M+H-H2O]+ 219.14974 147.6
[M+HCOO]- 281.15068 171.6
[M+CH3COO]- 295.16633 203.9
[M+Na-2H]- 257.12715 162.3
[M]+ 236.15193 154.8
[M]- 236.15303 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