CID 11805072

5,5-dimethoxypentanoic acid

Structural Information

Molecular Formula
C7H14O4
SMILES
COC(CCCC(=O)O)OC
InChI
InChI=1S/C7H14O4/c1-10-7(11-2)5-3-4-6(8)9/h7H,3-5H2,1-2H3,(H,8,9)
InChIKey
QFGMIDHGDONRJQ-UHFFFAOYSA-N
Compound name
5,5-dimethoxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

162.0892 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09648 134.9
[M+Na]+ 185.07842 141.0
[M-H]- 161.08192 133.6
[M+NH4]+ 180.12302 154.8
[M+K]+ 201.05236 141.8
[M+H-H2O]+ 145.08646 130.1
[M+HCOO]- 207.08740 156.0
[M+CH3COO]- 221.10305 176.3
[M+Na-2H]- 183.06387 138.4
[M]+ 162.08865 138.5
[M]- 162.08975 138.5
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