CID 23405791

1-methoxy-4-methylpentan-2-ol

Structural Information

Molecular Formula
C7H16O2
SMILES
CC(C)CC(COC)O
InChI
InChI=1S/C7H16O2/c1-6(2)4-7(8)5-9-3/h6-8H,4-5H2,1-3H3
InChIKey
PUBJOYLZVVHMIK-UHFFFAOYSA-N
Compound name
1-methoxy-4-methylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

132.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.12232 131.0
[M+Na]+ 155.10426 137.0
[M-H]- 131.10776 129.9
[M+NH4]+ 150.14886 152.4
[M+K]+ 171.07820 137.4
[M+H-H2O]+ 115.11230 126.7
[M+HCOO]- 177.11324 151.5
[M+CH3COO]- 191.12889 173.2
[M+Na-2H]- 153.08971 134.5
[M]+ 132.11449 132.4
[M]- 132.11559 132.4
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