CID 10998061

14440-51-8

Structural Information

Molecular Formula
C9H14O5
SMILES
CC1(O[C@H]2[C@@H]([C@H]3CO[C@@H]([C@H]2O1)O3)O)C
InChI
InChI=1S/C9H14O5/c1-9(2)13-6-5(10)4-3-11-8(12-4)7(6)14-9/h4-8,10H,3H2,1-2H3/t4-,5-,6+,7+,8-/m1/s1
InChIKey
VEESJHGZLRXGHP-QQGCVABSSA-N
Compound name
(1R,2S,6S,7R,8R)-4,4-dimethyl-3,5,10,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

202.08412 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09140 138.5
[M+Na]+ 225.07334 147.1
[M-H]- 201.07684 143.6
[M+NH4]+ 220.11794 160.0
[M+K]+ 241.04728 149.6
[M+H-H2O]+ 185.08138 137.3
[M+HCOO]- 247.08232 152.1
[M+CH3COO]- 261.09797 152.2
[M+Na-2H]- 223.05879 146.0
[M]+ 202.08357 141.7
[M]- 202.08467 141.7
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

patents stripe