CID 7884

4-methoxy-4-methyl-2-pentanone

Structural Information

Molecular Formula
C7H14O2
SMILES
CC(=O)CC(C)(C)OC
InChI
InChI=1S/C7H14O2/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3
InChIKey
KOKPBCHLPVDQTK-UHFFFAOYSA-N
Compound name
4-methoxy-4-methylpentan-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

2443
Patents

130.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 127.3
[M+Na]+ 153.08860 134.7
[M-H]- 129.09210 127.9
[M+NH4]+ 148.13320 149.7
[M+K]+ 169.06254 135.5
[M+H-H2O]+ 113.09664 123.5
[M+HCOO]- 175.09758 149.0
[M+CH3COO]- 189.11323 174.4
[M+Na-2H]- 151.07405 133.5
[M]+ 130.09883 130.1
[M]- 130.09993 130.1
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