CID 131752906

Isohumbertiol

Structural Information

Molecular Formula
C15H22O
SMILES
CC1=CC(=C(CC1)C(=C)C)CC(C)(C=C)O
InChI
InChI=1S/C15H22O/c1-6-15(5,16)10-13-9-12(4)7-8-14(13)11(2)3/h6,9,16H,1-2,7-8,10H2,3-5H3
InChIKey
ZIVKTIMZADKFSV-UHFFFAOYSA-N
Compound name
2-methyl-1-(5-methyl-2-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)but-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 152.0
[M+Na]+ 241.15629 158.1
[M-H]- 217.15979 154.0
[M+NH4]+ 236.20089 170.3
[M+K]+ 257.13023 154.4
[M+H-H2O]+ 201.16433 147.1
[M+HCOO]- 263.16527 169.7
[M+CH3COO]- 277.18092 190.9
[M+Na-2H]- 239.14174 153.8
[M]+ 218.16652 150.5
[M]- 218.16762 150.5
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

No patent data available for this compound.