CID 10704873

Climacostol

Structural Information

Molecular Formula
C15H22O2
SMILES
CCCCCC/C=C\CC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-9-13-10-14(16)12-15(17)11-13/h7-8,10-12,16-17H,2-6,9H2,1H3/b8-7-
InChIKey
VKWFGJNPZKSIEL-FPLPWBNLSA-N
Compound name
5-[(Z)-non-2-enyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

10
Patents

234.16199 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 157.0
[M+Na]+ 257.151208 163.2
[M-H]- 233.154714 157.4
[M+NH4]+ 252.195813 174.0
[M+K]+ 273.125148 158.5
[M+H-H2O]+ 217.159250 151.1
[M+HCOO]- 279.160191 177.2
[M+CH3COO]- 293.175841 189.0
[M+Na-2H]- 255.136656 159.6
[M]+ 234.16144142 158.2
[M]- 234.16253858 158.2
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