CID 3033514

2-cyano-3-ethoxyacrylic acid

Structural Information

Molecular Formula
C6H7NO3
SMILES
CCO/C=C(\C#N)/C(=O)O
InChI
InChI=1S/C6H7NO3/c1-2-10-4-5(3-7)6(8)9/h4H,2H2,1H3,(H,8,9)/b5-4+
InChIKey
AVAQZFUVMGMHSC-SNAWJCMRSA-N
Compound name
(E)-2-cyano-3-ethoxyprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

802
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 127.9
[M+Na]+ 164.031808 136.6
[M-H]- 140.035314 127.6
[M+NH4]+ 159.076413 146.6
[M+K]+ 180.005748 136.3
[M+H-H2O]+ 124.039850 116.9
[M+HCOO]- 186.040791 146.1
[M+CH3COO]- 200.056441 184.2
[M+Na-2H]- 162.017256 132.0
[M]+ 141.04204142 123.8
[M]- 141.04313858 123.8
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