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
trans-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]+ 229.143426 155.2
[M+Na]+ 251.125368 158.2
[M-H]- 227.128874 158.0
[M+NH4]+ 246.169973 166.5
[M+K]+ 267.099308 162.3
[M+H-H2O]+ 211.133410 144.1
[M+HCOO]- 273.134351 172.4
[M+CH3COO]- 287.150001 195.8
[M+Na-2H]- 249.110816 152.9
[M]+ 228.13560142 166.1
[M]- 228.13669858 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.