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]+ 287.196546 169.7
[M+Na]+ 309.178488 172.7
[M-H]- 285.181994 167.9
[M+NH4]+ 304.223093 181.9
[M+K]+ 325.152428 172.1
[M+H-H2O]+ 269.186530 162.6
[M+HCOO]- 331.187471 180.9
[M+CH3COO]- 345.203121 198.9
[M+Na-2H]- 307.163936 168.8
[M]+ 286.18872142 168.5
[M]- 286.18981858 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.