CID 79588

2-methyldecan-3-one

Structural Information

Molecular Formula
C11H22O
SMILES
CCCCCCCC(=O)C(C)C
InChI
InChI=1S/C11H22O/c1-4-5-6-7-8-9-11(12)10(2)3/h10H,4-9H2,1-3H3
InChIKey
HJSFZKMTFMWEAQ-UHFFFAOYSA-N
Compound name
2-methyldecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

170.16707 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17435 144.0
[M+Na]+ 193.15629 149.1
[M-H]- 169.15979 143.7
[M+NH4]+ 188.20089 164.7
[M+K]+ 209.13023 148.4
[M+H-H2O]+ 153.16433 139.0
[M+HCOO]- 215.16527 164.7
[M+CH3COO]- 229.18092 185.1
[M+Na-2H]- 191.14174 146.0
[M]+ 170.16652 146.7
[M]- 170.16762 146.7
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