CID 6366370

Einecs 301-691-4

Structural Information

Molecular Formula
C16H26O
SMILES
CC1=CCCC(C1/C=C/C(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/b11-10+
InChIKey
CUUPRDMEAKEYAC-ZHACJKMWSA-N
Compound name
(1E)-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 160.2
[M+Na]+ 257.18758 170.6
[M+NH4]+ 252.23218 169.1
[M+K]+ 273.16152 161.4
[M-H]- 233.19108 161.4
[M+Na-2H]- 255.17303 164.9
[M]+ 234.19781 162.0
[M]- 234.19891 162.0
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.