CID 155820065

2384753-64-2

Structural Information

Molecular Formula
C12H21NO6
SMILES
CC(C)(C)OC(=O)NC1(CC(C1)(OC)OC)C(=O)O
InChI
InChI=1S/C12H21NO6/c1-10(2,3)19-9(16)13-11(8(14)15)6-12(7-11,17-4)18-5/h6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKey
YTGUYNJQXRTUAU-UHFFFAOYSA-N
Compound name
3,3-dimethoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1369 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14418 164.7
[M+Na]+ 298.12612 168.3
[M-H]- 274.12962 166.6
[M+NH4]+ 293.17072 177.0
[M+K]+ 314.10006 172.8
[M+H-H2O]+ 258.13416 156.6
[M+HCOO]- 320.13510 182.0
[M+CH3COO]- 334.15075 199.6
[M+Na-2H]- 296.11157 168.5
[M]+ 275.13635 177.3
[M]- 275.13745 177.3
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.