CID 10313297

29737-65-3

Structural Information

Molecular Formula
C8H10O4
SMILES
COC(=O)[C@@H]1[C@H](C1=C)C(=O)OC
InChI
InChI=1S/C8H10O4/c1-4-5(7(9)11-2)6(4)8(10)12-3/h5-6H,1H2,2-3H3/t5-,6-/m0/s1
InChIKey
BBYRCAPYYSBUQL-WDSKDSINSA-N
Compound name
dimethyl (1R,2R)-3-methylidenecyclopropane-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

170.0579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 133.9
[M+Na]+ 193.04712 144.5
[M-H]- 169.05062 139.3
[M+NH4]+ 188.09172 150.0
[M+K]+ 209.02106 142.8
[M+H-H2O]+ 153.05516 128.7
[M+HCOO]- 215.05610 156.8
[M+CH3COO]- 229.07175 183.0
[M+Na-2H]- 191.03257 136.9
[M]+ 170.05735 140.2
[M]- 170.05845 140.2
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