CID 139597700

Dtxsid501029456

Structural Information

Molecular Formula
C16H26O5
SMILES
CC[C@@H](C)C1[C@@H](C=C[C@]2(O1)C[C@@H](C[C@H](O2)CC(=O)O)O)C
InChI
InChI=1S/C16H26O5/c1-4-10(2)15-11(3)5-6-16(21-15)9-12(17)7-13(20-16)8-14(18)19/h5-6,10-13,15,17H,4,7-9H2,1-3H3,(H,18,19)/t10-,11-,12-,13+,15?,16+/m1/s1
InChIKey
WPUOTAFLLXNDCT-DBRWDGDCSA-N
Compound name
2-[(3R,6R,8S,10R)-2-[(2R)-butan-2-yl]-10-hydroxy-3-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

298.178 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.18528 170.6
[M+Na]+ 321.16722 179.2
[M+NH4]+ 316.21182 177.7
[M+K]+ 337.14116 174.3
[M-H]- 297.17072 173.6
[M+Na-2H]- 319.15267 172.3
[M]+ 298.17745 172.5
[M]- 298.17855 172.5
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.