CID 22061422

440100-15-2

Structural Information

Molecular Formula
C15H20N4O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=N2)C#N
InChI
InChI=1S/C15H20N4O2/c1-15(2,3)21-14(20)19-9-7-18(8-10-19)13-12(11-16)5-4-6-17-13/h4-6H,7-10H2,1-3H3
InChIKey
NLEQQMQLJYJBEF-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-cyanopyridin-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

288.15863 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16591 167.7
[M+Na]+ 311.14785 174.6
[M-H]- 287.15135 168.1
[M+NH4]+ 306.19245 177.4
[M+K]+ 327.12179 171.1
[M+H-H2O]+ 271.15589 151.5
[M+HCOO]- 333.15683 178.3
[M+CH3COO]- 347.17248 210.4
[M+Na-2H]- 309.13330 170.1
[M]+ 288.15808 160.4
[M]- 288.15918 160.4
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