CID 3023738

5,5-dimethyldec-3-en-2-one

Structural Information

Molecular Formula
C12H22O
SMILES
CCCCCC(C)(C)C=CC(=O)C
InChI
InChI=1S/C12H22O/c1-5-6-7-9-12(3,4)10-8-11(2)13/h8,10H,5-7,9H2,1-4H3
InChIKey
FEDALTYBCNYVKG-UHFFFAOYSA-N
Compound name
5,5-dimethyldec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.16707 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 146.0
[M+Na]+ 205.156288 151.8
[M-H]- 181.159794 145.8
[M+NH4]+ 200.200893 166.4
[M+K]+ 221.130228 150.1
[M+H-H2O]+ 165.164330 141.6
[M+HCOO]- 227.165271 166.1
[M+CH3COO]- 241.180921 186.0
[M+Na-2H]- 203.141736 149.5
[M]+ 182.16652142 148.5
[M]- 182.16761858 148.5
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.