CID 69000787

Diisopropyl 3-hydroxycyclobutane-1,1-dicarboxylate

Structural Information

Molecular Formula
C12H20O5
SMILES
CC(C)OC(=O)C1(CC(C1)O)C(=O)OC(C)C
InChI
InChI=1S/C12H20O5/c1-7(2)16-10(14)12(5-9(13)6-12)11(15)17-8(3)4/h7-9,13H,5-6H2,1-4H3
InChIKey
KGJGEGCBWIXNRP-UHFFFAOYSA-N
Compound name
dipropan-2-yl 3-hydroxycyclobutane-1,1-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

244.13107 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.138346 159.7
[M+Na]+ 267.120288 162.9
[M-H]- 243.123794 161.4
[M+NH4]+ 262.164893 171.5
[M+K]+ 283.094228 166.9
[M+H-H2O]+ 227.128330 150.3
[M+HCOO]- 289.129271 175.6
[M+CH3COO]- 303.144921 194.9
[M+Na-2H]- 265.105736 158.2
[M]+ 244.13052142 170.5
[M]- 244.13161858 170.5
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

patents stripe