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

25
Patents

244.13107 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.13835 159.7
[M+Na]+ 267.12029 162.9
[M-H]- 243.12379 161.4
[M+NH4]+ 262.16489 171.5
[M+K]+ 283.09423 166.9
[M+H-H2O]+ 227.12833 150.3
[M+HCOO]- 289.12927 175.6
[M+CH3COO]- 303.14492 194.9
[M+Na-2H]- 265.10574 158.2
[M]+ 244.13052 170.5
[M]- 244.13162 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