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

107
Patents

170.16707 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 144.0
[M+Na]+ 193.156288 149.1
[M-H]- 169.159794 143.7
[M+NH4]+ 188.200893 164.7
[M+K]+ 209.130228 148.4
[M+H-H2O]+ 153.164330 139.0
[M+HCOO]- 215.165271 164.7
[M+CH3COO]- 229.180921 185.1
[M+Na-2H]- 191.141736 146.0
[M]+ 170.16652142 146.7
[M]- 170.16761858 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