CID 10953489

Cis-cyclobut-3-ene-1,2-dicarboxylic anhydride

Structural Information

Molecular Formula
C6H4O3
SMILES
C1=C[C@H]2[C@@H]1C(=O)OC2=O
InChI
InChI=1S/C6H4O3/c7-5-3-1-2-4(3)6(8)9-5/h1-4H/t3-,4+
InChIKey
XREQZAHSEPNASW-ZXZARUISSA-N
Compound name
(1R,5S)-3-oxabicyclo[3.2.0]hept-6-ene-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

124.016045 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.02332 117.8
[M+Na]+ 147.00526 124.6
[M+NH4]+ 142.04987 122.5
[M+K]+ 162.97920 124.0
[M-H]- 123.00877 116.8
[M+Na-2H]- 144.99071 119.0
[M]+ 124.01550 117.1
[M]- 124.01659 117.1
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

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