CID 2801035

Hms1661l01

Structural Information

Molecular Formula
C10H11N3O3
SMILES
CCOC(=O)/C(=C/NC1=CC(=NO1)C)/C#N
InChI
InChI=1S/C10H11N3O3/c1-3-15-10(14)8(5-11)6-12-9-4-7(2)13-16-9/h4,6,12H,3H2,1-2H3/b8-6+
InChIKey
MCGWZGRJGQUYQF-SOFGYWHQSA-N
Compound name
ethyl (E)-2-cyano-3-[(3-methyl-1,2-oxazol-5-yl)amino]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

221.08005 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.087326 148.3
[M+Na]+ 244.069268 156.8
[M-H]- 220.072774 150.3
[M+NH4]+ 239.113873 163.3
[M+K]+ 260.043208 156.2
[M+H-H2O]+ 204.077310 134.1
[M+HCOO]- 266.078251 167.2
[M+CH3COO]- 280.093901 200.5
[M+Na-2H]- 242.054716 151.4
[M]+ 221.07950142 145.7
[M]- 221.08059858 145.7
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

No patent data available for this compound.