CID 90397912

1240619-81-1

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCCC(=O)O
InChI
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-9-7-14(8-10-15)6-4-5-11(16)17/h4-10H2,1-3H3,(H,16,17)
InChIKey
DJWURFPLVBHJDF-UHFFFAOYSA-N
Compound name
4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

272.1736 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18088 164.9
[M+Na]+ 295.16282 171.8
[M+NH4]+ 290.20742 168.9
[M+K]+ 311.13676 169.3
[M-H]- 271.16632 161.7
[M+Na-2H]- 293.14827 165.4
[M]+ 272.17305 164.4
[M]- 272.17415 164.4
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