CID 11829474

4-methoxy-4-methylpentanal

Structural Information

Molecular Formula
C7H14O2
SMILES
CC(C)(CCC=O)OC
InChI
InChI=1S/C7H14O2/c1-7(2,9-3)5-4-6-8/h6H,4-5H2,1-3H3
InChIKey
DDBAGGSXLVMUOO-UHFFFAOYSA-N
Compound name
4-methoxy-4-methylpentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

130.09938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 127.5
[M+Na]+ 153.08860 135.2
[M-H]- 129.09210 128.1
[M+NH4]+ 148.13320 150.0
[M+K]+ 169.06254 135.5
[M+H-H2O]+ 113.09664 123.7
[M+HCOO]- 175.09758 150.2
[M+CH3COO]- 189.11323 173.6
[M+Na-2H]- 151.07405 134.9
[M]+ 130.09883 131.1
[M]- 130.09993 131.1
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