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 166.1
[M+Na]+ 295.16282 169.7
[M-H]- 271.16632 164.4
[M+NH4]+ 290.20742 178.9
[M+K]+ 311.13676 168.9
[M+H-H2O]+ 255.17086 159.0
[M+HCOO]- 317.17180 178.6
[M+CH3COO]- 331.18745 195.0
[M+Na-2H]- 293.14827 166.8
[M]+ 272.17305 165.2
[M]- 272.17415 165.2
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