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

153
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 158.4
[M+Na]+ 275.13662 164.6
[M-H]- 251.14012 159.5
[M+NH4]+ 270.18122 172.4
[M+K]+ 291.11056 163.3
[M+H-H2O]+ 235.14466 145.5
[M+HCOO]- 297.14560 170.8
[M+CH3COO]- 311.16125 204.8
[M+Na-2H]- 273.12207 159.5
[M]+ 252.14685 152.3
[M]- 252.14795 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