CID 5877588

Nsc643152

Structural Information

Molecular Formula
C11H15N2O3P
SMILES
CCOP(=O)(/C(=C/C1=CC=CN1)/C#N)OCC
InChI
InChI=1S/C11H15N2O3P/c1-3-15-17(14,16-4-2)11(9-12)8-10-6-5-7-13-10/h5-8,13H,3-4H2,1-2H3/b11-8+
InChIKey
WDKQNUUCBXHMBW-DHZHZOJOSA-N
Compound name
(E)-2-diethoxyphosphoryl-3-(1H-pyrrol-2-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.08203 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08931 155.5
[M+Na]+ 277.07125 163.1
[M-H]- 253.07475 154.5
[M+NH4]+ 272.11585 170.6
[M+K]+ 293.04519 160.6
[M+H-H2O]+ 237.07929 140.1
[M+HCOO]- 299.08023 176.9
[M+CH3COO]- 313.09588 201.6
[M+Na-2H]- 275.05670 156.2
[M]+ 254.08148 152.8
[M]- 254.08258 152.8
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.