CID 56672124

Oppsit-4(15)-ene-1beta,11-diol

Structural Information

Molecular Formula
C15H26O2
SMILES
C[C@@]12CC[C@@H]([C@H]1C(=C)CC[C@H]2O)CC(C)(C)O
InChI
InChI=1S/C15H26O2/c1-10-5-6-12(16)15(4)8-7-11(13(10)15)9-14(2,3)17/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,15+/m1/s1
InChIKey
UACKNRNYUIAHPT-BHPKHCPMSA-N
Compound name
(1R,3aR,4R,7aS)-1-(2-hydroxy-2-methylpropyl)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.19328 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 159.4
[M+Na]+ 261.182498 165.0
[M-H]- 237.186004 160.4
[M+NH4]+ 256.227103 181.0
[M+K]+ 277.156438 161.0
[M+H-H2O]+ 221.190540 156.2
[M+HCOO]- 283.191481 172.6
[M+CH3COO]- 297.207131 189.8
[M+Na-2H]- 259.167946 160.6
[M]+ 238.19273142 154.6
[M]- 238.19382858 154.6
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.