CID 18183683

2-carboxyoxyethyl hydrogen carbonate

Structural Information

Molecular Formula
C4H6O6
SMILES
C(COC(=O)O)OC(=O)O
InChI
InChI=1S/C4H6O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey
ZUOSJYIZXTZROD-UHFFFAOYSA-N
Compound name
2-carboxyoxyethyl hydrogen carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

42190
Patents

150.01643 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.023706 125.2
[M+Na]+ 173.005648 132.3
[M-H]- 149.009154 123.0
[M+NH4]+ 168.050253 144.7
[M+K]+ 188.979588 133.4
[M+H-H2O]+ 133.013690 120.7
[M+HCOO]- 195.014631 146.4
[M+CH3COO]- 209.030281 166.7
[M+Na-2H]- 170.991096 129.9
[M]+ 150.01588142 127.7
[M]- 150.01697858 127.7
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