CID 5468627

Nsc673092

Structural Information

Molecular Formula
C11H16N3O3P
SMILES
CCOP(=O)(/C(=C/C1=NC=CN1C)/C#N)OCC
InChI
InChI=1S/C11H16N3O3P/c1-4-16-18(15,17-5-2)10(9-12)8-11-13-6-7-14(11)3/h6-8H,4-5H2,1-3H3/b10-8+
InChIKey
DOHQHQVDIQPXAZ-CSKARUKUSA-N
Compound name
(E)-2-diethoxyphosphoryl-3-(1-methylimidazol-2-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.09293 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10021 154.3
[M+Na]+ 292.08215 162.5
[M-H]- 268.08565 153.4
[M+NH4]+ 287.12675 168.4
[M+K]+ 308.05609 161.4
[M+H-H2O]+ 252.09019 138.0
[M+HCOO]- 314.09113 175.8
[M+CH3COO]- 328.10678 207.5
[M+Na-2H]- 290.06760 155.0
[M]+ 269.09238 154.0
[M]- 269.09348 154.0
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.