CID 71540

Diciferron

Structural Information

Molecular Formula
C14H22O
SMILES
CC(CC(=C1C=CC=C1)O)CC(C)(C)C
InChI
InChI=1S/C14H22O/c1-11(10-14(2,3)4)9-13(15)12-7-5-6-8-12/h5-8,11,15H,9-10H2,1-4H3
InChIKey
NSMARDOBNDRFSF-UHFFFAOYSA-N
Compound name
1-cyclopenta-2,4-dien-1-ylidene-3,5,5-trimethylhexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

206.16707 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 153.1
[M+Na]+ 229.15629 158.3
[M-H]- 205.15979 154.9
[M+NH4]+ 224.20089 173.4
[M+K]+ 245.13023 155.7
[M+H-H2O]+ 189.16433 148.2
[M+HCOO]- 251.16527 172.1
[M+CH3COO]- 265.18092 185.7
[M+Na-2H]- 227.14174 154.1
[M]+ 206.16652 152.5
[M]- 206.16762 152.5
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.