CID 39870581

Methyl 2-(cyclopropylmethoxy)acetate

Structural Information

Molecular Formula
C7H12O3
SMILES
COC(=O)COCC1CC1
InChI
InChI=1S/C7H12O3/c1-9-7(8)5-10-4-6-2-3-6/h6H,2-5H2,1H3
InChIKey
YFULVUCJQXKMEG-UHFFFAOYSA-N
Compound name
methyl 2-(cyclopropylmethoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 131.1
[M+Na]+ 167.067858 140.0
[M-H]- 143.071364 135.8
[M+NH4]+ 162.112463 147.8
[M+K]+ 183.041798 139.2
[M+H-H2O]+ 127.075900 125.3
[M+HCOO]- 189.076841 154.8
[M+CH3COO]- 203.092491 177.4
[M+Na-2H]- 165.053306 137.0
[M]+ 144.07809142 136.8
[M]- 144.07918858 136.8
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.