CID 14242

Dimethyl glutarate

Structural Information

Molecular Formula
C7H12O4
SMILES
COC(=O)CCCC(=O)OC
InChI
InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3
InChIKey
XTDYIOOONNVFMA-UHFFFAOYSA-N
Compound name
dimethyl pentanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

16374
Patents

160.07356 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 133.7
[M+Na]+ 183.06278 142.6
[M+NH4]+ 178.10738 139.8
[M+K]+ 199.03672 139.0
[M-H]- 159.06628 131.2
[M+Na-2H]- 181.04823 135.7
[M]+ 160.07301 133.8
[M]- 160.07411 133.8
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