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]+ 239.20056 159.4
[M+Na]+ 261.18250 165.0
[M-H]- 237.18600 160.4
[M+NH4]+ 256.22710 181.0
[M+K]+ 277.15644 161.0
[M+H-H2O]+ 221.19054 156.2
[M+HCOO]- 283.19148 172.6
[M+CH3COO]- 297.20713 189.8
[M+Na-2H]- 259.16795 160.6
[M]+ 238.19273 154.6
[M]- 238.19383 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.