CID 130632288

3-(methoxymethyl)oxane-3-carbaldehyde

Structural Information

Molecular Formula
C8H14O3
SMILES
COCC1(CCCOC1)C=O
InChI
InChI=1S/C8H14O3/c1-10-6-8(5-9)3-2-4-11-7-8/h5H,2-4,6-7H2,1H3
InChIKey
HLBVVOBVPAHJSJ-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)oxane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 132.0
[M+Na]+ 181.08352 137.9
[M-H]- 157.08702 135.7
[M+NH4]+ 176.12812 153.3
[M+K]+ 197.05746 139.2
[M+H-H2O]+ 141.09156 127.2
[M+HCOO]- 203.09250 152.6
[M+CH3COO]- 217.10815 174.1
[M+Na-2H]- 179.06897 140.1
[M]+ 158.09375 131.9
[M]- 158.09485 131.9
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.