CID 5468608

Nsc672861

Structural Information

Molecular Formula
C10H14N3O3P
SMILES
CCOP(=O)(/C(=C/C1=CN=CN1)/C#N)OCC
InChI
InChI=1S/C10H14N3O3P/c1-3-15-17(14,16-4-2)10(6-11)5-9-7-12-8-13-9/h5,7-8H,3-4H2,1-2H3,(H,12,13)/b10-5+
InChIKey
OUQOCZAVCNIIPK-BJMVGYQFSA-N
Compound name
(E)-2-diethoxyphosphoryl-3-(1H-imidazol-5-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.07729 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08457 152.7
[M+Na]+ 278.06651 160.0
[M-H]- 254.07001 150.3
[M+NH4]+ 273.11111 166.3
[M+K]+ 294.04045 158.3
[M+H-H2O]+ 238.07455 136.3
[M+HCOO]- 300.07549 173.0
[M+CH3COO]- 314.09114 201.4
[M+Na-2H]- 276.05196 153.8
[M]+ 255.07674 149.8
[M]- 255.07784 149.8
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.