CID 182314

3,4-diisopropoxy-3-cyclobutene-1,2-dione

Structural Information

Molecular Formula
C10H14O4
SMILES
CC(C)OC1=C(C(=O)C1=O)OC(C)C
InChI
InChI=1S/C10H14O4/c1-5(2)13-9-7(11)8(12)10(9)14-6(3)4/h5-6H,1-4H3
InChIKey
KCZPGGVPQXQGEJ-UHFFFAOYSA-N
Compound name
3,4-di(propan-2-yloxy)cyclobut-3-ene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

269
Patents

198.0892 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 139.0
[M+Na]+ 221.078418 147.1
[M-H]- 197.081924 143.6
[M+NH4]+ 216.123023 152.4
[M+K]+ 237.052358 150.3
[M+H-H2O]+ 181.086460 128.7
[M+HCOO]- 243.087401 161.8
[M+CH3COO]- 257.103051 191.2
[M+Na-2H]- 219.063866 141.1
[M]+ 198.08865142 154.3
[M]- 198.08974858 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe