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 165.5
[M+Na]+ 309.14208 167.6
[M-H]- 285.14558 167.5
[M+NH4]+ 304.18668 171.5
[M+K]+ 325.11602 172.0
[M+H-H2O]+ 269.15012 153.6
[M+HCOO]- 331.15106 175.5
[M+CH3COO]- 345.16671 198.2
[M+Na-2H]- 307.12753 167.8
[M]+ 286.15231 172.5
[M]- 286.15341 172.5
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