CID 22630199

3689-69-8

Structural Information

Molecular Formula
C18H34O
SMILES
CC(C)CCCC(C)CCC/C(=C/CCC(=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/b17-13+
InChIKey
CKJHJTOHWZLGFY-GHRIWEEISA-N
Compound name
(E)-6,10,14-trimethylpentadec-5-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

266.26096 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.26824 175.0
[M+Na]+ 289.25018 177.1
[M-H]- 265.25368 173.5
[M+NH4]+ 284.29478 191.6
[M+K]+ 305.22412 174.8
[M+H-H2O]+ 249.25822 169.0
[M+HCOO]- 311.25916 191.5
[M+CH3COO]- 325.27481 206.2
[M+Na-2H]- 287.23563 170.7
[M]+ 266.26041 178.2
[M]- 266.26151 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

No patent data available for this compound.