CID 136575472

(1s,3s)-3-{[(tert-butoxy)carbonyl]amino}-3-(methoxycarbonyl)cyclobutane-1-carboxylic acid

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 164.7
[M+Na]+ 296.11047 167.4
[M-H]- 272.11397 166.4
[M+NH4]+ 291.15507 174.9
[M+K]+ 312.08441 171.7
[M+H-H2O]+ 256.11851 154.9
[M+HCOO]- 318.11945 181.2
[M+CH3COO]- 332.13510 199.3
[M+Na-2H]- 294.09592 165.7
[M]+ 273.12070 175.3
[M]- 273.12180 175.3
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

No patent data available for this compound.