CID 23192059

Methyl 2-(propan-2-yloxy)acetate

Structural Information

Molecular Formula
C6H12O3
SMILES
CC(C)OCC(=O)OC
InChI
InChI=1S/C6H12O3/c1-5(2)9-4-6(7)8-3/h5H,4H2,1-3H3
InChIKey
BNXCBYNURXMCTQ-UHFFFAOYSA-N
Compound name
methyl 2-propan-2-yloxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

132.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 126.7
[M+Na]+ 155.06786 133.9
[M-H]- 131.07136 127.2
[M+NH4]+ 150.11246 148.8
[M+K]+ 171.04180 135.4
[M+H-H2O]+ 115.07590 122.2
[M+HCOO]- 177.07684 149.5
[M+CH3COO]- 191.09249 173.2
[M+Na-2H]- 153.05331 131.4
[M]+ 132.07809 130.3
[M]- 132.07919 130.3
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