CID 489946

Verticillatol

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(C)[C@H]1CC[C@@]2([C@H](CCC(=C)[C@]2(C1)O)O)C
InChI
InChI=1S/C15H26O2/c1-10(2)12-7-8-14(4)13(16)6-5-11(3)15(14,17)9-12/h10,12-13,16-17H,3,5-9H2,1-2,4H3/t12-,13-,14+,15-/m0/s1
InChIKey
CKGNGZNSTIOFOY-XQLPTFJDSA-N
Compound name
(1S,4aS,6S,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-1,4a-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

238.19328 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 157.8
[M+Na]+ 261.18250 162.9
[M-H]- 237.18600 158.7
[M+NH4]+ 256.22710 179.4
[M+K]+ 277.15644 159.5
[M+H-H2O]+ 221.19054 154.0
[M+HCOO]- 283.19148 169.3
[M+CH3COO]- 297.20713 190.5
[M+Na-2H]- 259.16795 159.2
[M]+ 238.19273 151.2
[M]- 238.19383 151.2
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