CID 141100068

Tert-butyl 2-(prop-2-yn-1-yl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CC(C)(C)OC(=O)N1CCNCC1CC#C
InChI
InChI=1S/C12H20N2O2/c1-5-6-10-9-13-7-8-14(10)11(15)16-12(2,3)4/h1,10,13H,6-9H2,2-4H3
InChIKey
FEGWVCNMGGTYCC-UHFFFAOYSA-N
Compound name
tert-butyl 2-prop-2-ynylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

224.15248 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.159756 153.1
[M+Na]+ 247.141698 159.6
[M-H]- 223.145204 150.4
[M+NH4]+ 242.186303 166.1
[M+K]+ 263.115638 156.7
[M+H-H2O]+ 207.149740 140.2
[M+HCOO]- 269.150681 161.5
[M+CH3COO]- 283.166331 193.7
[M+Na-2H]- 245.127146 154.5
[M]+ 224.15193142 144.3
[M]- 224.15302858 144.3
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