CID 500172

Nsc 659304

Structural Information

Molecular Formula
C8H12O5
SMILES
CC1(OC2C(OC(=O)C2O1)CO)C
InChI
InChI=1S/C8H12O5/c1-8(2)12-5-4(3-9)11-7(10)6(5)13-8/h4-6,9H,3H2,1-2H3
InChIKey
NHHKFJCWLPPNCN-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

160
Patents

188.06847 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07575 134.5
[M+Na]+ 211.05769 143.9
[M-H]- 187.06119 140.0
[M+NH4]+ 206.10229 156.5
[M+K]+ 227.03163 145.9
[M+H-H2O]+ 171.06573 133.0
[M+HCOO]- 233.06667 153.1
[M+CH3COO]- 247.08232 178.0
[M+Na-2H]- 209.04314 140.8
[M]+ 188.06792 138.1
[M]- 188.06902 138.1
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.