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]+ 221.080836 142.7
[M+Na]+ 243.062778 151.3
[M-H]- 219.066284 149.1
[M+NH4]+ 238.107383 156.4
[M+K]+ 259.036718 152.5
[M+H-H2O]+ 203.070820 132.5
[M+HCOO]- 265.071761 165.4
[M+CH3COO]- 279.087411 189.1
[M+Na-2H]- 241.048226 148.6
[M]+ 220.07301142 155.4
[M]- 220.07410858 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.