CID 130700516

3-(methoxymethyl)oxolane-3-carbaldehyde

Structural Information

Molecular Formula
C7H12O3
SMILES
COCC1(CCOC1)C=O
InChI
InChI=1S/C7H12O3/c1-9-5-7(4-8)2-3-10-6-7/h4H,2-3,5-6H2,1H3
InChIKey
IVXGSXKFJMFGAV-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)oxolane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 127.5
[M+Na]+ 167.06786 134.7
[M-H]- 143.07136 131.5
[M+NH4]+ 162.11246 151.2
[M+K]+ 183.04180 135.9
[M+H-H2O]+ 127.07590 123.4
[M+HCOO]- 189.07684 150.5
[M+CH3COO]- 203.09249 170.8
[M+Na-2H]- 165.05331 134.9
[M]+ 144.07809 129.0
[M]- 144.07919 129.0
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.