CID 370263

Nsc643037

Structural Information

Molecular Formula
C11H10O3
SMILES
CC1(C(=O)C(=CC2=CC=CO2)C1=O)C
InChI
InChI=1S/C11H10O3/c1-11(2)9(12)8(10(11)13)6-7-4-3-5-14-7/h3-6H,1-2H3
InChIKey
JGCDUDVBAZIFLD-UHFFFAOYSA-N
Compound name
4-(furan-2-ylmethylidene)-2,2-dimethylcyclobutane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.06299 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.070266 131.5
[M+Na]+ 213.052208 140.6
[M-H]- 189.055714 140.0
[M+NH4]+ 208.096813 147.7
[M+K]+ 229.026148 142.1
[M+H-H2O]+ 173.060250 123.3
[M+HCOO]- 235.061191 154.8
[M+CH3COO]- 249.076841 184.7
[M+Na-2H]- 211.037656 136.8
[M]+ 190.06244142 142.9
[M]- 190.06353858 142.9
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.