CID 72118866

2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}pentanoic acid

Structural Information

Molecular Formula
C14H26N2O4
SMILES
CCCC(C(=O)O)N1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H26N2O4/c1-5-6-11(12(17)18)15-7-9-16(10-8-15)13(19)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,17,18)
InChIKey
NUXDRIDMHUTPRJ-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.18927 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.19655 169.7
[M+Na]+ 309.17849 172.7
[M-H]- 285.18199 167.9
[M+NH4]+ 304.22309 181.9
[M+K]+ 325.15243 172.1
[M+H-H2O]+ 269.18653 162.6
[M+HCOO]- 331.18747 180.9
[M+CH3COO]- 345.20312 198.9
[M+Na-2H]- 307.16394 168.8
[M]+ 286.18872 168.5
[M]- 286.18982 168.5
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

No patent data available for this compound.