CID 9562484

Bayer 10050

Structural Information

Molecular Formula
C12H15N2O4P
SMILES
CCOP(=O)(OCC)O/N=C(\C#N)/C1=CC=CC=C1
InChI
InChI=1S/C12H15N2O4P/c1-3-16-19(15,17-4-2)18-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+
InChIKey
LSUIQEGRPQBHDW-WYMLVPIESA-N
Compound name
[(Z)-[cyano(phenyl)methylidene]amino] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.07693 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08421 159.2
[M+Na]+ 305.06615 166.7
[M-H]- 281.06965 162.0
[M+NH4]+ 300.11075 173.9
[M+K]+ 321.04009 165.9
[M+H-H2O]+ 265.07419 143.6
[M+HCOO]- 327.07513 184.8
[M+CH3COO]- 341.09078 213.0
[M+Na-2H]- 303.05160 162.6
[M]+ 282.07638 159.9
[M]- 282.07748 159.9
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.