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 155.2
[M+Na]+ 251.12537 158.2
[M-H]- 227.12887 158.0
[M+NH4]+ 246.16997 166.5
[M+K]+ 267.09931 162.3
[M+H-H2O]+ 211.13341 144.1
[M+HCOO]- 273.13435 172.4
[M+CH3COO]- 287.15000 195.8
[M+Na-2H]- 249.11082 152.9
[M]+ 228.13560 166.1
[M]- 228.13670 166.1
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.