CID 3081726

3-(2-methoxyethoxy)propanal

Structural Information

Molecular Formula
C6H12O3
SMILES
COCCOCCC=O
InChI
InChI=1S/C6H12O3/c1-8-5-6-9-4-2-3-7/h3H,2,4-6H2,1H3
InChIKey
PVMNWBRYHQDVIN-UHFFFAOYSA-N
Compound name
3-(2-methoxyethoxy)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

133
Patents

132.07864 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 126.3
[M+Na]+ 155.06786 136.5
[M+NH4]+ 150.11246 133.7
[M+K]+ 171.04180 131.1
[M-H]- 131.07136 125.2
[M+Na-2H]- 153.05331 130.0
[M]+ 132.07809 127.2
[M]- 132.07919 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe