CID 165940944

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

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2(CCC2)C#C
InChI
InChI=1S/C15H24N2O2/c1-5-15(7-6-8-15)17-11-9-16(10-12-17)13(18)19-14(2,3)4/h1H,6-12H2,2-4H3
InChIKey
GJLMLRCPQMZYEB-UHFFFAOYSA-N
Compound name
tert-butyl 4-(1-ethynylcyclobutyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18378 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 159.1
[M+Na]+ 287.17300 164.2
[M-H]- 263.17650 160.1
[M+NH4]+ 282.21760 167.2
[M+K]+ 303.14694 164.7
[M+H-H2O]+ 247.18104 141.9
[M+HCOO]- 309.18198 166.7
[M+CH3COO]- 323.19763 204.7
[M+Na-2H]- 285.15845 160.5
[M]+ 264.18323 158.6
[M]- 264.18433 158.6
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.