CID 2735645

680579-19-5

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C(=O)O)N1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H22N2O4/c1-9(10(15)16)13-5-7-14(8-6-13)11(17)18-12(2,3)4/h9H,5-8H2,1-4H3,(H,15,16)
InChIKey
ZCGDPFOTLCUUFB-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

258.15796 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16524 160.6
[M+Na]+ 281.14718 164.5
[M-H]- 257.15068 159.3
[M+NH4]+ 276.19178 174.0
[M+K]+ 297.12112 164.4
[M+H-H2O]+ 241.15522 153.9
[M+HCOO]- 303.15616 172.5
[M+CH3COO]- 317.17181 193.0
[M+Na-2H]- 279.13263 160.8
[M]+ 258.15741 158.8
[M]- 258.15851 158.8
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