CID 137701634

2044713-52-0

Structural Information

Molecular Formula
C14H24N2O5
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2(CCOC2)C(=O)O
InChI
InChI=1S/C14H24N2O5/c1-13(2,3)21-12(19)15-5-7-16(8-6-15)14(11(17)18)4-9-20-10-14/h4-10H2,1-3H3,(H,17,18)
InChIKey
PWLSPCQHEVNLFZ-UHFFFAOYSA-N
Compound name
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]oxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.16852 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17580 169.6
[M+Na]+ 323.15774 172.7
[M-H]- 299.16124 171.7
[M+NH4]+ 318.20234 183.2
[M+K]+ 339.13168 173.5
[M+H-H2O]+ 283.16578 163.2
[M+HCOO]- 345.16672 180.4
[M+CH3COO]- 359.18237 196.4
[M+Na-2H]- 321.14319 170.4
[M]+ 300.16797 166.8
[M]- 300.16907 166.8
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.