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]+ 191.07027 131.5
[M+Na]+ 213.05221 140.6
[M-H]- 189.05571 140.0
[M+NH4]+ 208.09681 147.7
[M+K]+ 229.02615 142.1
[M+H-H2O]+ 173.06025 123.3
[M+HCOO]- 235.06119 154.8
[M+CH3COO]- 249.07684 184.7
[M+Na-2H]- 211.03766 136.8
[M]+ 190.06244 142.9
[M]- 190.06354 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.