CID 3614309

Ethyl 3-amino-2-cyanoprop-2-enoate

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CCOC(=O)C(=CN)C#N
InChI
InChI=1S/C6H8N2O2/c1-2-10-6(9)5(3-7)4-8/h3H,2,7H2,1H3
InChIKey
LJFFRQTXGJMKDQ-UHFFFAOYSA-N
Compound name
ethyl 3-amino-2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

140.05858 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 130.4
[M+Na]+ 163.04780 138.6
[M-H]- 139.05130 130.8
[M+NH4]+ 158.09240 149.3
[M+K]+ 179.02174 138.6
[M+H-H2O]+ 123.05584 118.9
[M+HCOO]- 185.05678 150.0
[M+CH3COO]- 199.07243 187.9
[M+Na-2H]- 161.03325 133.9
[M]+ 140.05803 124.9
[M]- 140.05913 124.9
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