CID 361745

Nsc625011

Structural Information

Molecular Formula
C12H12O4
SMILES
COC1=C(C(C1=O)(C2=CC=CC=C2)O)OC
InChI
InChI=1S/C12H12O4/c1-15-9-10(13)12(14,11(9)16-2)8-6-4-3-5-7-8/h3-7,14H,1-2H3
InChIKey
RQMAAUOGFOJALV-UHFFFAOYSA-N
Compound name
4-hydroxy-2,3-dimethoxy-4-phenylcyclobut-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07356 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 142.7
[M+Na]+ 243.06278 151.3
[M-H]- 219.06628 149.1
[M+NH4]+ 238.10738 156.4
[M+K]+ 259.03672 152.5
[M+H-H2O]+ 203.07082 132.5
[M+HCOO]- 265.07176 165.4
[M+CH3COO]- 279.08741 189.1
[M+Na-2H]- 241.04823 148.6
[M]+ 220.07301 155.4
[M]- 220.07411 155.4
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

No patent data available for this compound.