CID 75454408

Tert-butyl n-(1-cyanopiperidin-4-yl)carbamate

Structural Information

Molecular Formula
C11H19N3O2
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)C#N
InChI
InChI=1S/C11H19N3O2/c1-11(2,3)16-10(15)13-9-4-6-14(8-12)7-5-9/h9H,4-7H2,1-3H3,(H,13,15)
InChIKey
LZVWQFNLDLGSRA-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-cyanopiperidin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

225.14772 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.154996 152.9
[M+Na]+ 248.136938 158.9
[M-H]- 224.140444 154.0
[M+NH4]+ 243.181543 167.7
[M+K]+ 264.110878 157.8
[M+H-H2O]+ 208.144980 139.8
[M+HCOO]- 270.145921 167.2
[M+CH3COO]- 284.161571 202.0
[M+Na-2H]- 246.122386 156.1
[M]+ 225.14717142 145.3
[M]- 225.14826858 145.3
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