CID 90028

23202-81-5

Structural Information

Molecular Formula
C9H16O4
SMILES
C[C@@H]1[C@@H]2[C@H]([C@@H](O1)OC)OC(O2)(C)C
InChI
InChI=1S/C9H16O4/c1-5-6-7(8(10-4)11-5)13-9(2,3)12-6/h5-8H,1-4H3/t5-,6-,7-,8-/m1/s1
InChIKey
RNHBZJGMAYMLBE-WCTZXXKLSA-N
Compound name
(3aR,4R,6R,6aR)-4-methoxy-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

188.10486 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11214 137.0
[M+Na]+ 211.09408 146.2
[M-H]- 187.09758 143.7
[M+NH4]+ 206.13868 159.8
[M+K]+ 227.06802 149.0
[M+H-H2O]+ 171.10212 135.2
[M+HCOO]- 233.10306 156.3
[M+CH3COO]- 247.11871 182.0
[M+Na-2H]- 209.07953 143.0
[M]+ 188.10431 141.9
[M]- 188.10541 141.9
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