CID 154578291

2141420-07-5

Structural Information

Molecular Formula
C7H10O4
SMILES
COCC1(CC(=O)C1)C(=O)O
InChI
InChI=1S/C7H10O4/c1-11-4-7(6(9)10)2-5(8)3-7/h2-4H2,1H3,(H,9,10)
InChIKey
PUGHKBMBRLZTFS-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-3-oxocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0579 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 129.8
[M+Na]+ 181.04712 136.1
[M-H]- 157.05062 132.4
[M+NH4]+ 176.09172 145.4
[M+K]+ 197.02106 139.0
[M+H-H2O]+ 141.05516 121.4
[M+HCOO]- 203.05610 150.3
[M+CH3COO]- 217.07175 176.9
[M+Na-2H]- 179.03257 134.9
[M]+ 158.05735 139.7
[M]- 158.05845 139.7
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.