CID 137935682

2253619-41-7

Structural Information

Molecular Formula
C7H12O3
SMILES
COCC(=O)[C@@H]1CCCO1
InChI
InChI=1S/C7H12O3/c1-9-5-6(8)7-3-2-4-10-7/h7H,2-5H2,1H3/t7-/m0/s1
InChIKey
BLOOJYXCGWNVLE-ZETCQYMHSA-N
Compound name
2-methoxy-1-[(2S)-oxolan-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 129.5
[M+Na]+ 167.06786 135.5
[M-H]- 143.07136 133.2
[M+NH4]+ 162.11246 151.0
[M+K]+ 183.04180 137.0
[M+H-H2O]+ 127.07590 124.5
[M+HCOO]- 189.07684 151.4
[M+CH3COO]- 203.09249 172.1
[M+Na-2H]- 165.05331 134.3
[M]+ 144.07809 130.0
[M]- 144.07919 130.0
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.