CID 91967

55987-49-0

Structural Information

Molecular Formula
C17H26O
SMILES
CC1=CCC(C=CCC(=C)C(CC1)C(=O)C)(C)C
InChI
InChI=1S/C17H26O/c1-13-8-9-16(15(3)18)14(2)7-6-11-17(4,5)12-10-13/h6,10-11,16H,2,7-9,12H2,1,3-5H3
InChIKey
YRFMWVJKSSLTAZ-UHFFFAOYSA-N
Compound name
1-(6,6,9-trimethyl-2-methylidenecycloundeca-4,8-dien-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

246.19836 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20564 155.8
[M+Na]+ 269.18758 162.2
[M-H]- 245.19108 157.1
[M+NH4]+ 264.23218 173.2
[M+K]+ 285.16152 160.0
[M+H-H2O]+ 229.19562 154.2
[M+HCOO]- 291.19656 173.8
[M+CH3COO]- 305.21221 193.0
[M+Na-2H]- 267.17303 155.8
[M]+ 246.19781 151.1
[M]- 246.19891 151.1
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