CID 3023361

94030-86-1

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
2
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]+ 235.205636 158.1
[M+Na]+ 257.187578 163.3
[M-H]- 233.191084 159.6
[M+NH4]+ 252.232183 177.8
[M+K]+ 273.161518 159.4
[M+H-H2O]+ 217.195620 153.3
[M+HCOO]- 279.196561 175.6
[M+CH3COO]- 293.212211 192.9
[M+Na-2H]- 255.173026 158.9
[M]+ 234.19781142 156.3
[M]- 234.19890858 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.