CID 3085055

Ferropolimaler [inn]

Structural Information

Molecular Formula
C7H12O5
SMILES
CC(C(CC(=O)O)C(=O)O)OC
InChI
InChI=1S/C7H12O5/c1-4(12-2)5(7(10)11)3-6(8)9/h4-5H,3H2,1-2H3,(H,8,9)(H,10,11)
InChIKey
AHVBOAWHOXVOBQ-UHFFFAOYSA-N
Compound name
2-(1-methoxyethyl)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

176.06847 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.075746 136.5
[M+Na]+ 199.057688 142.0
[M-H]- 175.061194 134.0
[M+NH4]+ 194.102293 154.8
[M+K]+ 215.031628 142.8
[M+H-H2O]+ 159.065730 131.9
[M+HCOO]- 221.066671 154.6
[M+CH3COO]- 235.082321 176.9
[M+Na-2H]- 197.043136 137.1
[M]+ 176.06792142 137.6
[M]- 176.06901858 137.6
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

patents stripe