CID 54138115

2-(2,6-dioxooxan-4-yl)acetic acid

Structural Information

Molecular Formula
C7H8O5
SMILES
C1C(CC(=O)OC1=O)CC(=O)O
InChI
InChI=1S/C7H8O5/c8-5(9)1-4-2-6(10)12-7(11)3-4/h4H,1-3H2,(H,8,9)
InChIKey
NZDOCJDBCZVIDQ-UHFFFAOYSA-N
Compound name
2-(2,6-dioxooxan-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

172.03717 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04445 132.8
[M+Na]+ 195.02639 142.3
[M+NH4]+ 190.07099 138.8
[M+K]+ 211.00033 139.6
[M-H]- 171.02989 133.0
[M+Na-2H]- 193.01184 134.9
[M]+ 172.03662 133.7
[M]- 172.03772 133.7
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

patents stripe