CID 495342

Nsc650710

Structural Information

Molecular Formula
C17H26O5
SMILES
CC1C(CC2C1C3C(CCC2(C)OC(=O)C)C(C(=O)O3)C)O
InChI
InChI=1S/C17H26O5/c1-8-11-5-6-17(4,22-10(3)18)12-7-13(19)9(2)14(12)15(11)21-16(8)20/h8-9,11-15,19H,5-7H2,1-4H3
InChIKey
ZTBZCOXVNCZCFN-UHFFFAOYSA-N
Compound name
(8-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-6-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.178 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18528 169.8
[M+Na]+ 333.16722 175.5
[M-H]- 309.17072 175.6
[M+NH4]+ 328.21182 189.4
[M+K]+ 349.14116 175.9
[M+H-H2O]+ 293.17526 167.7
[M+HCOO]- 355.17620 182.7
[M+CH3COO]- 369.19185 206.4
[M+Na-2H]- 331.15267 167.5
[M]+ 310.17745 167.6
[M]- 310.17855 167.6
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.