CID 6504493

Brn 2882735

Structural Information

Molecular Formula
C12H16N3O3P
SMILES
CCOP(=O)(N(C)C)O/N=C(/C#N)\C1=CC=CC=C1
InChI
InChI=1S/C12H16N3O3P/c1-4-17-19(16,15(2)3)18-14-12(10-13)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3/b14-12-
InChIKey
QBNNBUXYAOTBFK-OWBHPGMISA-N
Compound name
(E)-N-[dimethylamino(ethoxy)phosphoryl]oxybenzenecarboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.09293 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.100206 161.3
[M+Na]+ 304.082148 168.0
[M-H]- 280.085654 165.1
[M+NH4]+ 299.126753 176.1
[M+K]+ 320.056088 168.0
[M+H-H2O]+ 264.090190 145.2
[M+HCOO]- 326.091131 187.8
[M+CH3COO]- 340.106781 218.7
[M+Na-2H]- 302.067596 163.9
[M]+ 281.09238142 161.0
[M]- 281.09347858 161.0
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.