CID 22265410

660406-84-8

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)CC#N
InChI
InChI=1S/C13H20N2O3/c1-13(2,3)18-12(17)15-8-5-10(6-9-15)11(16)4-7-14/h10H,4-6,8-9H2,1-3H3
InChIKey
VSLLBQBSHAGKLC-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-cyanoacetyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

252.1474 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15468 159.0
[M+Na]+ 275.13662 166.7
[M+NH4]+ 270.18122 161.2
[M+K]+ 291.11056 160.1
[M-H]- 251.14012 150.5
[M+Na-2H]- 273.12207 158.6
[M]+ 252.14685 156.5
[M]- 252.14795 156.5
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