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]+ 239.139016 153.7
[M+Na]+ 261.120958 160.5
[M-H]- 237.124464 152.3
[M+NH4]+ 256.165563 166.7
[M+K]+ 277.094898 158.8
[M+H-H2O]+ 221.129000 140.6
[M+HCOO]- 283.129941 162.9
[M+CH3COO]- 297.145591 197.3
[M+Na-2H]- 259.106406 154.6
[M]+ 238.13119142 146.6
[M]- 238.13228858 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

patents stripe