CID 9877470

Potassium 1-cyano-3-ethoxy-3-oxoprop-1-en-2-olate

Structural Information

Molecular Formula
C6H7NO3
SMILES
CCOC(=O)/C(=C/C#N)/O
InChI
InChI=1S/C6H7NO3/c1-2-10-6(9)5(8)3-4-7/h3,8H,2H2,1H3/b5-3-
InChIKey
XHJJYDFHJMQSDB-HYXAFXHYSA-N
Compound name
ethyl (Z)-3-cyano-2-hydroxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

141.04259 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 128.2
[M+Na]+ 164.031808 137.0
[M-H]- 140.035314 128.0
[M+NH4]+ 159.076413 147.0
[M+K]+ 180.005748 136.8
[M+H-H2O]+ 124.039850 117.3
[M+HCOO]- 186.040791 146.5
[M+CH3COO]- 200.056441 183.6
[M+Na-2H]- 162.017256 132.3
[M]+ 141.04204142 124.0
[M]- 141.04313858 124.0
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