CID 63337330

Tert-butyl 4-(1-cyanoethyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C12H21N3O2
SMILES
CC(C#N)N1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21N3O2/c1-10(9-13)14-5-7-15(8-6-14)11(16)17-12(2,3)4/h10H,5-8H2,1-4H3
InChIKey
PHJBOFMUXZDASD-UHFFFAOYSA-N
Compound name
tert-butyl 4-(1-cyanoethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.16338 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.17066 154.9
[M+Na]+ 262.15260 160.9
[M-H]- 238.15610 154.5
[M+NH4]+ 257.19720 168.1
[M+K]+ 278.12654 160.1
[M+H-H2O]+ 222.16064 141.1
[M+HCOO]- 284.16158 165.9
[M+CH3COO]- 298.17723 203.5
[M+Na-2H]- 260.13805 156.4
[M]+ 239.16283 148.1
[M]- 239.16393 148.1
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

No patent data available for this compound.