CID 74934945

Ns00065826

Structural Information

Molecular Formula
C6H8O4
SMILES
CC(=CC(=O)C)OC(=O)O
InChI
InChI=1S/C6H8O4/c1-4(7)3-5(2)10-6(8)9/h3H,1-2H3,(H,8,9)
InChIKey
WXLJTVNSBZCUHJ-UHFFFAOYSA-N
Compound name
4-oxopent-2-en-2-yl hydrogen carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.04225 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.049526 127.2
[M+Na]+ 167.031468 134.3
[M-H]- 143.034974 126.4
[M+NH4]+ 162.076073 147.9
[M+K]+ 183.005408 134.7
[M+H-H2O]+ 127.039510 123.0
[M+HCOO]- 189.040451 148.2
[M+CH3COO]- 203.056101 171.0
[M+Na-2H]- 165.016916 130.2
[M]+ 144.04170142 128.2
[M]- 144.04279858 128.2
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.