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

9
Patents

144.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 129.9
[M+Na]+ 167.06786 134.1
[M-H]- 143.07136 131.8
[M+NH4]+ 162.11246 143.8
[M+K]+ 183.04180 137.5
[M+H-H2O]+ 127.07590 119.8
[M+HCOO]- 189.07684 149.0
[M+CH3COO]- 203.09249 175.3
[M+Na-2H]- 165.05331 133.0
[M]+ 144.07809 137.5
[M]- 144.07919 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