CID 72213388

Tert-butyl 4-(but-3-yn-1-yl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C13H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCC#C
InChI
InChI=1S/C13H22N2O2/c1-5-6-7-14-8-10-15(11-9-14)12(16)17-13(2,3)4/h1H,6-11H2,2-4H3
InChIKey
NDBBLLCYPXUQNU-UHFFFAOYSA-N
Compound name
tert-butyl 4-but-3-ynylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

238.16812 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17540 157.3
[M+Na]+ 261.15734 166.3
[M+NH4]+ 256.20194 159.8
[M+K]+ 277.13128 158.6
[M-H]- 237.16084 148.4
[M+Na-2H]- 259.14279 157.1
[M]+ 238.16757 155.0
[M]- 238.16867 155.0
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