CID 386973

Nsc680215

Structural Information

Molecular Formula
C9H14N3O4P
SMILES
CCOP(=O)(CC1=NC(=C(O1)N)C#N)OCC
InChI
InChI=1S/C9H14N3O4P/c1-3-14-17(13,15-4-2)6-8-12-7(5-10)9(11)16-8/h3-4,6,11H2,1-2H3
InChIKey
KZJQIAKEVUOJKT-UHFFFAOYSA-N
Compound name
5-amino-2-(diethoxyphosphorylmethyl)-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0722 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.07948 149.2
[M+Na]+ 282.06142 158.1
[M-H]- 258.06492 150.0
[M+NH4]+ 277.10602 163.4
[M+K]+ 298.03536 158.7
[M+H-H2O]+ 242.06946 133.7
[M+HCOO]- 304.07040 172.9
[M+CH3COO]- 318.08605 207.4
[M+Na-2H]- 280.04687 151.8
[M]+ 259.07165 149.5
[M]- 259.07275 149.5
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

No patent data available for this compound.