CID 10932515

43138-66-5

Structural Information

Molecular Formula
C9H14O5
SMILES
CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C=O)OC)C
InChI
InChI=1S/C9H14O5/c1-9(2)13-7-6(11-3)5(4-10)12-8(7)14-9/h4-8H,1-3H3/t5-,6+,7-,8-/m1/s1
InChIKey
BFEXGNFZCNYWCG-ULAWRXDQSA-N
Compound name
(3aR,5S,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

202.08412 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.091396 138.2
[M+Na]+ 225.073338 147.5
[M-H]- 201.076844 144.9
[M+NH4]+ 220.117943 160.3
[M+K]+ 241.047278 150.3
[M+H-H2O]+ 185.081380 136.4
[M+HCOO]- 247.082321 157.9
[M+CH3COO]- 261.097971 183.4
[M+Na-2H]- 223.058786 144.4
[M]+ 202.08357142 143.9
[M]- 202.08466858 143.9
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