CID 3834089

70835-78-8

Structural Information

Molecular Formula
C18H28O6
SMILES
C1CCC2(CC1)OCC3C(O2)C4C(C(O3)O)OC5(O4)CCCCC5
InChI
InChI=1S/C18H28O6/c19-16-15-14(23-18(24-15)9-5-2-6-10-18)13-12(21-16)11-20-17(22-13)7-3-1-4-8-17/h12-16,19H,1-11H2
InChIKey
DQACDWMYPBKPLD-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1886 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19588 176.0
[M+Na]+ 363.17782 178.0
[M-H]- 339.18132 184.1
[M+NH4]+ 358.22242 189.0
[M+K]+ 379.15176 180.5
[M+H-H2O]+ 323.18586 169.4
[M+HCOO]- 385.18680 177.7
[M+CH3COO]- 399.20245 183.8
[M+Na-2H]- 361.16327 179.5
[M]+ 340.18805 168.2
[M]- 340.18915 168.2
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.