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-cyano-2-pyridinyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

288.15863 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.165906 167.7
[M+Na]+ 311.147848 174.6
[M-H]- 287.151354 168.1
[M+NH4]+ 306.192453 177.4
[M+K]+ 327.121788 171.1
[M+H-H2O]+ 271.155890 151.5
[M+HCOO]- 333.156831 178.3
[M+CH3COO]- 347.172481 210.4
[M+Na-2H]- 309.133296 170.1
[M]+ 288.15808142 160.4
[M]- 288.15917858 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