CID 155820721

2460756-26-5

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CC1C(=O)N(CCN1C(=O)OC(C)(C)C)CC=C
InChI
InChI=1S/C13H22N2O3/c1-6-7-14-8-9-15(10(2)11(14)16)12(17)18-13(3,4)5/h6,10H,1,7-9H2,2-5H3
InChIKey
VNCMNXVQGLTSIM-UHFFFAOYSA-N
Compound name
tert-butyl 2-methyl-3-oxo-4-prop-2-enylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.16304 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17032 160.4
[M+Na]+ 277.15226 167.1
[M-H]- 253.15576 160.9
[M+NH4]+ 272.19686 175.4
[M+K]+ 293.12620 165.4
[M+H-H2O]+ 237.16030 153.8
[M+HCOO]- 299.16124 175.4
[M+CH3COO]- 313.17689 196.1
[M+Na-2H]- 275.13771 161.4
[M]+ 254.16249 160.7
[M]- 254.16359 160.7
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.