CID 22265410

Tert-butyl 4-(2-cyanoacetyl)piperidine-1-carboxylate

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

125
Patents

252.1474 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.154676 158.4
[M+Na]+ 275.136618 164.6
[M-H]- 251.140124 159.5
[M+NH4]+ 270.181223 172.4
[M+K]+ 291.110558 163.3
[M+H-H2O]+ 235.144660 145.5
[M+HCOO]- 297.145601 170.8
[M+CH3COO]- 311.161251 204.8
[M+Na-2H]- 273.122066 159.5
[M]+ 252.14685142 152.3
[M]- 252.14794858 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

patents stripe