CID 80488124

Methyl 2-cyclobutyl-2-hydroxyacetate

Structural Information

Molecular Formula
C7H12O3
SMILES
COC(=O)C(C1CCC1)O
InChI
InChI=1S/C7H12O3/c1-10-7(9)6(8)5-3-2-4-5/h5-6,8H,2-4H2,1H3
InChIKey
SLHBAAQBWSDPLW-UHFFFAOYSA-N
Compound name
methyl 2-cyclobutyl-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

144.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 129.9
[M+Na]+ 167.067858 134.1
[M-H]- 143.071364 131.8
[M+NH4]+ 162.112463 143.8
[M+K]+ 183.041798 137.5
[M+H-H2O]+ 127.075900 119.8
[M+HCOO]- 189.076841 149.0
[M+CH3COO]- 203.092491 175.3
[M+Na-2H]- 165.053306 133.0
[M]+ 144.07809142 137.5
[M]- 144.07918858 137.5
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

patents stripe