CID 136575472

116129-02-3

Structural Information

Molecular Formula
C12H19NO6
SMILES
CC(C)(C)OC(=O)NC1(CC(C1)C(=O)O)C(=O)OC
InChI
InChI=1S/C12H19NO6/c1-11(2,3)19-10(17)13-12(9(16)18-4)5-7(6-12)8(14)15/h7H,5-6H2,1-4H3,(H,13,17)(H,14,15)
InChIKey
KPGHMDCUHKBWHJ-UHFFFAOYSA-N
Compound name
3-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.12125 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12853 169.0
[M+Na]+ 296.11047 169.7
[M+NH4]+ 291.15507 169.7
[M+K]+ 312.08441 169.0
[M-H]- 272.11397 162.7
[M+Na-2H]- 294.09592 167.1
[M]+ 273.12070 165.7
[M]- 273.12180 165.7
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

No patent data available for this compound.