CID 6436846

Vinyl-beta-ionol

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(C)(C=C)O
InChI
InChI=1S/C15H24O/c1-6-15(5,16)11-9-13-12(2)8-7-10-14(13,3)4/h6,9,11,16H,1,7-8,10H2,2-5H3/b11-9+
InChIKey
PZGYHDPZANRCSM-PKNBQFBNSA-N
Compound name
(1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

156
Patents

220.18271 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 152.7
[M+Na]+ 243.17193 159.1
[M-H]- 219.17543 154.7
[M+NH4]+ 238.21653 173.2
[M+K]+ 259.14587 155.4
[M+H-H2O]+ 203.17997 148.8
[M+HCOO]- 265.18091 170.1
[M+CH3COO]- 279.19656 189.3
[M+Na-2H]- 241.15738 156.2
[M]+ 220.18216 150.8
[M]- 220.18326 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe