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]+ 145.08592 131.1
[M+Na]+ 167.06786 140.0
[M-H]- 143.07136 135.8
[M+NH4]+ 162.11246 147.8
[M+K]+ 183.04180 139.2
[M+H-H2O]+ 127.07590 125.3
[M+HCOO]- 189.07684 154.8
[M+CH3COO]- 203.09249 177.4
[M+Na-2H]- 165.05331 137.0
[M]+ 144.07809 136.8
[M]- 144.07919 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.