CID 143061279

Tert-butyl 4-(prop-2-ynoyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C#C
InChI
InChI=1S/C12H18N2O3/c1-5-10(15)13-6-8-14(9-7-13)11(16)17-12(2,3)4/h1H,6-9H2,2-4H3
InChIKey
HEIVMEYTYUTSQY-UHFFFAOYSA-N
Compound name
tert-butyl 4-prop-2-ynoylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

238.13174 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 153.7
[M+Na]+ 261.12096 160.5
[M-H]- 237.12446 152.3
[M+NH4]+ 256.16556 166.7
[M+K]+ 277.09490 158.8
[M+H-H2O]+ 221.12900 140.6
[M+HCOO]- 283.12994 162.9
[M+CH3COO]- 297.14559 197.3
[M+Na-2H]- 259.10641 154.6
[M]+ 238.13119 146.6
[M]- 238.13229 146.6
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.