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

1
Patents

146.0943 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 130.6
[M+Na]+ 169.083518 138.2
[M-H]- 145.087024 131.0
[M+NH4]+ 164.128123 152.3
[M+K]+ 185.057458 138.9
[M+H-H2O]+ 129.091560 126.4
[M+HCOO]- 191.092501 153.5
[M+CH3COO]- 205.108151 175.6
[M+Na-2H]- 167.068966 138.0
[M]+ 146.09375142 135.5
[M]- 146.09484858 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

patents stripe