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

12
Patents

225.14772 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.15500 152.9
[M+Na]+ 248.13694 158.9
[M-H]- 224.14044 154.0
[M+NH4]+ 243.18154 167.7
[M+K]+ 264.11088 157.8
[M+H-H2O]+ 208.14498 139.8
[M+HCOO]- 270.14592 167.2
[M+CH3COO]- 284.16157 202.0
[M+Na-2H]- 246.12239 156.1
[M]+ 225.14717 145.3
[M]- 225.14827 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