CID 70209

2-methyloctan-3-one

Structural Information

Molecular Formula
C9H18O
SMILES
CCCCCC(=O)C(C)C
InChI
InChI=1S/C9H18O/c1-4-5-6-7-9(10)8(2)3/h8H,4-7H2,1-3H3
InChIKey
ODSKXCNVESXQCZ-UHFFFAOYSA-N
Compound name
2-methyloctan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

293
Patents

142.13577 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 134.3
[M+Na]+ 165.12499 144.2
[M+NH4]+ 160.16959 142.1
[M+K]+ 181.09893 138.5
[M-H]- 141.12849 133.7
[M+Na-2H]- 163.11044 137.4
[M]+ 142.13522 135.3
[M]- 142.13632 135.3
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

No patent data available for this compound.