CID 115011594

2-methoxy-2-(oxolan-3-yl)acetaldehyde

Structural Information

Molecular Formula
C7H12O3
SMILES
COC(C=O)C1CCOC1
InChI
InChI=1S/C7H12O3/c1-9-7(4-8)6-2-3-10-5-6/h4,6-7H,2-3,5H2,1H3
InChIKey
NRQVWRXPGPHCJH-UHFFFAOYSA-N
Compound name
2-methoxy-2-(oxolan-3-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 129.5
[M+Na]+ 167.067858 135.5
[M-H]- 143.071364 133.2
[M+NH4]+ 162.112463 151.0
[M+K]+ 183.041798 137.0
[M+H-H2O]+ 127.075900 124.5
[M+HCOO]- 189.076841 151.4
[M+CH3COO]- 203.092491 172.1
[M+Na-2H]- 165.053306 134.3
[M]+ 144.07809142 130.0
[M]- 144.07918858 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.