CID 60081042

851882-93-4

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)C
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-6-5-12(4)8(7-13)9(14)15/h8H,5-7H2,1-4H3,(H,14,15)
InChIKey
VWZNEKDBBGXKOE-UHFFFAOYSA-N
Compound name
1-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

244.1423 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14958 156.4
[M+Na]+ 267.13152 161.9
[M-H]- 243.13502 155.6
[M+NH4]+ 262.17612 170.7
[M+K]+ 283.10546 161.5
[M+H-H2O]+ 227.13956 150.1
[M+HCOO]- 289.14050 169.6
[M+CH3COO]- 303.15615 190.3
[M+Na-2H]- 265.11697 157.5
[M]+ 244.14175 155.2
[M]- 244.14285 155.2
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