CID 5363697

17974-57-1

Structural Information

Molecular Formula
C18H26O
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=O)C)/C
InChI
InChI=1S/C18H26O/c1-14(8-6-10-16(3)19)11-12-17-15(2)9-7-13-18(17,4)5/h6,8,10-12H,7,9,13H2,1-5H3/b10-6+,12-11+,14-8+
InChIKey
UBTNVRPIHJRBCI-LUXGDSJYSA-N
Compound name
(3E,5E,7E)-6-methyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

258.19836 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20564 162.8
[M+Na]+ 281.18758 168.1
[M-H]- 257.19108 165.5
[M+NH4]+ 276.23218 182.1
[M+K]+ 297.16152 163.9
[M+H-H2O]+ 241.19562 157.8
[M+HCOO]- 303.19656 180.6
[M+CH3COO]- 317.21221 199.3
[M+Na-2H]- 279.17303 161.9
[M]+ 258.19781 161.4
[M]- 258.19891 161.4
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.