CID 3019019

Rjmplnrtacpfqn-uhfffaoysa-n

Structural Information

Molecular Formula
C13H24O
SMILES
CCC(=O)C(=C(C)C(C)C(C)(C)C)C
InChI
InChI=1S/C13H24O/c1-8-12(14)10(3)9(2)11(4)13(5,6)7/h11H,8H2,1-7H3
InChIKey
RJMPLNRTACPFQN-UHFFFAOYSA-N
Compound name
4,5,6,7,7-pentamethyloct-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.18271 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 148.6
[M+Na]+ 219.171928 153.5
[M-H]- 195.175434 148.7
[M+NH4]+ 214.216533 168.4
[M+K]+ 235.145868 153.1
[M+H-H2O]+ 179.179970 144.6
[M+HCOO]- 241.180911 165.5
[M+CH3COO]- 255.196561 190.9
[M+Na-2H]- 217.157376 148.2
[M]+ 196.18216142 149.6
[M]- 196.18325858 149.6
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.