CID 89202050

3-methoxy-2-(methoxymethyl)-2-methylpropanal

Structural Information

Molecular Formula
C7H14O3
SMILES
CC(COC)(COC)C=O
InChI
InChI=1S/C7H14O3/c1-7(4-8,5-9-2)6-10-3/h4H,5-6H2,1-3H3
InChIKey
SQCRGROOQASKLX-UHFFFAOYSA-N
Compound name
3-methoxy-2-(methoxymethyl)-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.0943 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 130.6
[M+Na]+ 169.08352 138.2
[M-H]- 145.08702 131.0
[M+NH4]+ 164.12812 152.3
[M+K]+ 185.05746 138.9
[M+H-H2O]+ 129.09156 126.4
[M+HCOO]- 191.09250 153.5
[M+CH3COO]- 205.10815 175.6
[M+Na-2H]- 167.06897 138.0
[M]+ 146.09375 135.5
[M]- 146.09485 135.5
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.