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]+ 283.190376 203.3
[M+Na]+ 305.172318 204.3
[M-H]- 281.175824 202.9
[M+NH4]+ 300.216923 203.1
[M+K]+ 321.146258 202.4
[M+H-H2O]+ 265.180360 194.7
[M+HCOO]- 327.181301 203.5
[M+CH3COO]- 341.196951 204.0
[M+Na-2H]- 303.157766 204.5
[M]+ 282.18255142 203.1
[M]- 282.18364858 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.