CID 65682190

Methyl 2-cyclopropyl-2-methoxyacetate

Structural Information

Molecular Formula
C7H12O3
SMILES
COC(C1CC1)C(=O)OC
InChI
InChI=1S/C7H12O3/c1-9-6(5-3-4-5)7(8)10-2/h5-6H,3-4H2,1-2H3
InChIKey
XHLNRJUTEWGDMR-UHFFFAOYSA-N
Compound name
methyl 2-cyclopropyl-2-methoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 130.6
[M+Na]+ 167.06786 139.2
[M-H]- 143.07136 135.4
[M+NH4]+ 162.11246 147.2
[M+K]+ 183.04180 138.8
[M+H-H2O]+ 127.07590 124.9
[M+HCOO]- 189.07684 153.3
[M+CH3COO]- 203.09249 178.3
[M+Na-2H]- 165.05331 135.3
[M]+ 144.07809 135.7
[M]- 144.07919 135.7
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.