CID 14165818

7-hydroxycostol

Structural Information

Molecular Formula
C15H24O2
SMILES
CC12CCCC(=C)C1CC(CC2)(C(=C)CO)O
InChI
InChI=1S/C15H24O2/c1-11-5-4-6-14(3)7-8-15(17,9-13(11)14)12(2)10-16/h13,16-17H,1-2,4-10H2,3H3
InChIKey
SDWGOFYIBUYAQT-UHFFFAOYSA-N
Compound name
2-(3-hydroxyprop-1-en-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

236.17763 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 157.7
[M+Na]+ 259.16685 162.2
[M-H]- 235.17035 158.2
[M+NH4]+ 254.21145 179.0
[M+K]+ 275.14079 158.0
[M+H-H2O]+ 219.17489 153.6
[M+HCOO]- 281.17583 169.5
[M+CH3COO]- 295.19148 188.5
[M+Na-2H]- 257.15230 159.7
[M]+ 236.17708 149.9
[M]- 236.17818 149.9
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