CID 34415

6-methoxy-2-hexanone

Structural Information

Molecular Formula
C7H14O2
SMILES
CC(=O)CCCCOC
InChI
InChI=1S/C7H14O2/c1-7(8)5-3-4-6-9-2/h3-6H2,1-2H3
InChIKey
BBFYIMIWUNYAAX-UHFFFAOYSA-N
Compound name
6-methoxyhexan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

247
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 128.1
[M+Na]+ 153.08860 135.1
[M-H]- 129.09210 128.4
[M+NH4]+ 148.13320 150.4
[M+K]+ 169.06254 135.4
[M+H-H2O]+ 113.09664 123.6
[M+HCOO]- 175.09758 151.4
[M+CH3COO]- 189.11323 174.1
[M+Na-2H]- 151.07405 133.6
[M]+ 130.09883 131.4
[M]- 130.09993 131.4
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