CID 303553

56918-22-0

Structural Information

Molecular Formula
C7H11O4P
SMILES
COC1=C(P(=O)(CC1)C)C(=O)O
InChI
InChI=1S/C7H11O4P/c1-11-5-3-4-12(2,10)6(5)7(8)9/h3-4H2,1-2H3,(H,8,9)
InChIKey
XCKPBBDLKWCKOQ-UHFFFAOYSA-N
Compound name
4-methoxy-1-methyl-1-oxo-2,3-dihydro-1lambda5-phosphole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.03949 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04677 135.7
[M+Na]+ 213.02871 144.6
[M-H]- 189.03221 137.5
[M+NH4]+ 208.07331 159.1
[M+K]+ 229.00265 144.1
[M+H-H2O]+ 173.03675 129.9
[M+HCOO]- 235.03769 164.0
[M+CH3COO]- 249.05334 179.1
[M+Na-2H]- 211.01416 136.8
[M]+ 190.03894 138.5
[M]- 190.04004 138.5
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.