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]+ 145.085916 130.6
[M+Na]+ 167.067858 139.2
[M-H]- 143.071364 135.4
[M+NH4]+ 162.112463 147.2
[M+K]+ 183.041798 138.8
[M+H-H2O]+ 127.075900 124.9
[M+HCOO]- 189.076841 153.3
[M+CH3COO]- 203.092491 178.3
[M+Na-2H]- 165.053306 135.3
[M]+ 144.07809142 135.7
[M]- 144.07918858 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.