CID 489646

Dihydroparthenolike diol

Structural Information

Molecular Formula
C16H26O4
SMILES
C[C@H]1[C@@H]2CC[C@@]([C@H]3CC[C@](O3)([C@@H]([C@H]2CC1=O)O)C)(C)O
InChI
InChI=1S/C16H26O4/c1-9-10-4-6-15(2,19)13-5-7-16(3,20-13)14(18)11(10)8-12(9)17/h9-11,13-14,18-19H,4-8H2,1-3H3/t9-,10-,11-,13+,14+,15+,16-/m0/s1
InChIKey
PNVNLCJSWFQAFL-PSHJDXFHSA-N
Compound name
(1S,2R,3S,6S,7R,10R,11R)-2,10-dihydroxy-1,6,10-trimethyl-14-oxatricyclo[9.2.1.03,7]tetradecan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1831 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.19038 203.3
[M+Na]+ 305.17232 204.3
[M-H]- 281.17582 202.9
[M+NH4]+ 300.21692 203.1
[M+K]+ 321.14626 202.4
[M+H-H2O]+ 265.18036 194.7
[M+HCOO]- 327.18130 203.5
[M+CH3COO]- 341.19695 204.0
[M+Na-2H]- 303.15777 204.5
[M]+ 282.18255 203.1
[M]- 282.18365 203.1
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.