CID 46343

64011-75-2

Structural Information

Molecular Formula
C12H20O4
SMILES
CC(C)OC(=O)[C@H]1CC[C@@H]1C(=O)OC(C)C
InChI
InChI=1S/C12H20O4/c1-7(2)15-11(13)9-5-6-10(9)12(14)16-8(3)4/h7-10H,5-6H2,1-4H3/t9-,10-/m0/s1
InChIKey
OJDSRYHETADDNR-UWVGGRQHSA-N
Compound name
dipropan-2-yl (1S,2S)-cyclobutane-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.13615 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14343 157.3
[M+Na]+ 251.12537 160.5
[M+NH4]+ 246.16997 159.0
[M+K]+ 267.09931 159.5
[M-H]- 227.12887 153.1
[M+Na-2H]- 249.11082 155.5
[M]+ 228.13560 154.9
[M]- 228.13670 154.9
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.