CID 3066408

Brn 0234842

Structural Information

Molecular Formula
C10H12O7
SMILES
C=CCOC(=O)CC1(C(=O)OCO1)CC(=O)O
InChI
InChI=1S/C10H12O7/c1-2-3-15-8(13)5-10(4-7(11)12)9(14)16-6-17-10/h2H,1,3-6H2,(H,11,12)
InChIKey
XCXALIOFXMWWBA-UHFFFAOYSA-N
Compound name
2-[5-oxo-4-(2-oxo-2-prop-2-enoxyethyl)-1,3-dioxolan-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0583 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06558 151.5
[M+Na]+ 267.04752 158.1
[M+NH4]+ 262.09212 156.5
[M+K]+ 283.02146 157.0
[M-H]- 243.05102 150.5
[M+Na-2H]- 265.03297 151.9
[M]+ 244.05775 151.6
[M]- 244.05885 151.6
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.