CID 71463904

Tert-butyl (4-cyanopiperidin-4-yl)carbamate

Structural Information

Molecular Formula
C11H19N3O2
SMILES
CC(C)(C)OC(=O)NC1(CCNCC1)C#N
InChI
InChI=1S/C11H19N3O2/c1-10(2,3)16-9(15)14-11(8-12)4-6-13-7-5-11/h13H,4-7H2,1-3H3,(H,14,15)
InChIKey
LIVIABCTKQGIPN-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-cyanopiperidin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

225.14772 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.154996 154.9
[M+Na]+ 248.136938 160.9
[M-H]- 224.140444 154.9
[M+NH4]+ 243.181543 170.7
[M+K]+ 264.110878 158.7
[M+H-H2O]+ 208.144980 142.9
[M+HCOO]- 270.145921 167.9
[M+CH3COO]- 284.161571 198.3
[M+Na-2H]- 246.122386 159.3
[M]+ 225.14717142 145.6
[M]- 225.14826858 145.6
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