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]+ 145.085916 127.5
[M+Na]+ 167.067858 134.7
[M-H]- 143.071364 131.5
[M+NH4]+ 162.112463 151.2
[M+K]+ 183.041798 135.9
[M+H-H2O]+ 127.075900 123.4
[M+HCOO]- 189.076841 150.5
[M+CH3COO]- 203.092491 170.8
[M+Na-2H]- 165.053306 134.9
[M]+ 144.07809142 129.0
[M]- 144.07918858 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.