CID 380167

Nsc665605

Structural Information

Molecular Formula
C9H14O5
SMILES
CC1(C=CC(OO1)CC(=O)OC)OC
InChI
InChI=1S/C9H14O5/c1-9(12-3)5-4-7(13-14-9)6-8(10)11-2/h4-5,7H,6H2,1-3H3
InChIKey
MLWTVQDCBPSJKF-UHFFFAOYSA-N
Compound name
methyl 2-(6-methoxy-6-methyl-3H-1,2-dioxin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.08412 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09140 140.2
[M+Na]+ 225.07334 147.4
[M-H]- 201.07684 145.2
[M+NH4]+ 220.11794 158.7
[M+K]+ 241.04728 150.7
[M+H-H2O]+ 185.08138 135.2
[M+HCOO]- 247.08232 160.4
[M+CH3COO]- 261.09797 182.5
[M+Na-2H]- 223.05879 148.1
[M]+ 202.08357 145.2
[M]- 202.08467 145.2
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.