CID 53435910

6,10,14-trimethyl-5-pentadecen-2-one

Structural Information

Molecular Formula
C18H34O
SMILES
CC(C)CCCC(C)CCCC(=CCCC(=O)C)C
InChI
InChI=1S/C18H34O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h13,15-16H,6-12,14H2,1-5H3
InChIKey
CKJHJTOHWZLGFY-UHFFFAOYSA-N
Compound name
6,10,14-trimethylpentadec-5-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

266.26096 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.268236 175.0
[M+Na]+ 289.250178 177.1
[M-H]- 265.253684 173.5
[M+NH4]+ 284.294783 191.6
[M+K]+ 305.224118 174.8
[M+H-H2O]+ 249.258220 169.0
[M+HCOO]- 311.259161 191.5
[M+CH3COO]- 325.274811 206.2
[M+Na-2H]- 287.235626 170.7
[M]+ 266.26041142 178.2
[M]- 266.26150858 178.2
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

patents stripe