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

92
Patents

141.04259 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 128.2
[M+Na]+ 164.03181 137.0
[M-H]- 140.03531 128.0
[M+NH4]+ 159.07641 147.0
[M+K]+ 180.00575 136.8
[M+H-H2O]+ 124.03985 117.3
[M+HCOO]- 186.04079 146.5
[M+CH3COO]- 200.05644 183.6
[M+Na-2H]- 162.01726 132.3
[M]+ 141.04204 124.0
[M]- 141.04314 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