CID 165900513

1,5-dimethyl 2-formylpentanedioate

Structural Information

Molecular Formula
C8H12O5
SMILES
COC(=O)CCC(C=O)C(=O)OC
InChI
InChI=1S/C8H12O5/c1-12-7(10)4-3-6(5-9)8(11)13-2/h5-6H,3-4H2,1-2H3
InChIKey
TWIYDTWDZKCCEX-UHFFFAOYSA-N
Compound name
dimethyl 2-formylpentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.06847 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07575 139.9
[M+Na]+ 211.05769 147.9
[M+NH4]+ 206.10229 144.9
[M+K]+ 227.03163 145.3
[M-H]- 187.06119 136.4
[M+Na-2H]- 209.04314 140.8
[M]+ 188.06792 139.5
[M]- 188.06902 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.