CID 3023361

1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1,6-heptadien-3-ol

Structural Information

Molecular Formula
C16H26O
SMILES
CC1=CCCC(C1C=CC(CCC=C)O)(C)C
InChI
InChI=1S/C16H26O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,8,10-11,14-15,17H,1,6-7,9,12H2,2-4H3
InChIKey
CUUPRDMEAKEYAC-UHFFFAOYSA-N
Compound name
1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.19836 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 158.1
[M+Na]+ 257.18758 163.3
[M-H]- 233.19108 159.6
[M+NH4]+ 252.23218 177.8
[M+K]+ 273.16152 159.4
[M+H-H2O]+ 217.19562 153.3
[M+HCOO]- 279.19656 175.6
[M+CH3COO]- 293.21221 192.9
[M+Na-2H]- 255.17303 158.9
[M]+ 234.19781 156.3
[M]- 234.19891 156.3
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.