CID 123962010

2241142-14-1

Structural Information

Molecular Formula
C13H22N2O5
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2(COC2)C(=O)O
InChI
InChI=1S/C13H22N2O5/c1-12(2,3)20-11(18)14-4-6-15(7-5-14)13(10(16)17)8-19-9-13/h4-9H2,1-3H3,(H,16,17)
InChIKey
QOJLMUHHCGFLAU-UHFFFAOYSA-N
Compound name
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]oxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

286.15286 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.16014 169.1
[M+Na]+ 309.14208 171.6
[M+NH4]+ 304.18668 170.4
[M+K]+ 325.11602 170.4
[M-H]- 285.14558 165.5
[M+Na-2H]- 307.12753 168.7
[M]+ 286.15231 166.9
[M]- 286.15341 166.9
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