CID 2735644

242459-97-8

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCC(=O)O
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)14-8-6-13(7-9-14)5-4-10(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKey
WGQDOZLISKTFIH-UHFFFAOYSA-N
Compound name
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

258.15796 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16524 161.6
[M+Na]+ 281.14718 165.7
[M-H]- 257.15068 160.1
[M+NH4]+ 276.19178 175.0
[M+K]+ 297.12112 165.0
[M+H-H2O]+ 241.15522 154.7
[M+HCOO]- 303.15616 174.5
[M+CH3COO]- 317.17181 192.0
[M+Na-2H]- 279.13263 162.8
[M]+ 258.15741 160.3
[M]- 258.15851 160.3
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