CID 317455

1,2-dimethyl cyclobut-1-ene-1,2-dicarboxylate

Structural Information

Molecular Formula
C8H10O4
SMILES
COC(=O)C1=C(CC1)C(=O)OC
InChI
InChI=1S/C8H10O4/c1-11-7(9)5-3-4-6(5)8(10)12-2/h3-4H2,1-2H3
InChIKey
YCWIAJMHYRJHSR-UHFFFAOYSA-N
Compound name
dimethyl cyclobutene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

170.0579 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 132.0
[M+Na]+ 193.04712 138.4
[M-H]- 169.05062 135.9
[M+NH4]+ 188.09172 146.0
[M+K]+ 209.02106 142.2
[M+H-H2O]+ 153.05516 121.7
[M+HCOO]- 215.05610 154.1
[M+CH3COO]- 229.07175 182.0
[M+Na-2H]- 191.03257 135.6
[M]+ 170.05735 144.3
[M]- 170.05845 144.3
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

patents stripe