CID 131752009

Apotrichothecene

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1=CC2C(CC1)(C3(CCCC3(O2)CO)C)C
InChI
InChI=1S/C15H24O2/c1-11-5-8-13(2)12(9-11)17-15(10-16)7-4-6-14(13,15)3/h9,12,16H,4-8,10H2,1-3H3
InChIKey
JFZZTCKYMWJCGK-UHFFFAOYSA-N
Compound name
(6,8a,8b-trimethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-3a-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 154.6
[M+Na]+ 259.16685 163.3
[M+NH4]+ 254.21145 168.3
[M+K]+ 275.14079 155.5
[M-H]- 235.17035 157.3
[M+Na-2H]- 257.15230 159.5
[M]+ 236.17708 157.0
[M]- 236.17818 157.0
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.