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]+ 282.10021 161.3
[M+Na]+ 304.08215 168.0
[M-H]- 280.08565 165.1
[M+NH4]+ 299.12675 176.1
[M+K]+ 320.05609 168.0
[M+H-H2O]+ 264.09019 145.2
[M+HCOO]- 326.09113 187.8
[M+CH3COO]- 340.10678 218.7
[M+Na-2H]- 302.06760 163.9
[M]+ 281.09238 161.0
[M]- 281.09348 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.