CID 10725530

Ethyl 2,3-dicyanopropionate

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CCOC(=O)C(CC#N)C#N
InChI
InChI=1S/C7H8N2O2/c1-2-11-7(10)6(5-9)3-4-8/h6H,2-3H2,1H3
InChIKey
NPZOLWMDTPEVEI-UHFFFAOYSA-N
Compound name
ethyl 2,3-dicyanopropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

237
Patents

152.05858 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 142.7
[M+Na]+ 175.047798 151.3
[M-H]- 151.051304 145.0
[M+NH4]+ 170.092403 156.6
[M+K]+ 191.021738 151.0
[M+H-H2O]+ 135.055840 128.4
[M+HCOO]- 197.056781 154.9
[M+CH3COO]- 211.072431 211.3
[M+Na-2H]- 173.033246 144.7
[M]+ 152.05803142 136.3
[M]- 152.05912858 136.3
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