CID 5364903

Phosphonic acid, [2-(cyclohexylamino)ethenyl]-, diethyl ester

Structural Information

Molecular Formula
C12H24NO3P
SMILES
CCOP(=O)(/C=C/NC1CCCCC1)OCC
InChI
InChI=1S/C12H24NO3P/c1-3-15-17(14,16-4-2)11-10-13-12-8-6-5-7-9-12/h10-13H,3-9H2,1-2H3/b11-10+
InChIKey
GCOCYGLSBKOTBU-ZHACJKMWSA-N
Compound name
N-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

261.14938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.15666 164.1
[M+Na]+ 284.13860 166.6
[M-H]- 260.14210 164.8
[M+NH4]+ 279.18320 180.7
[M+K]+ 300.11254 165.2
[M+H-H2O]+ 244.14664 155.3
[M+HCOO]- 306.14758 188.9
[M+CH3COO]- 320.16323 197.5
[M+Na-2H]- 282.12405 165.2
[M]+ 261.14883 163.9
[M]- 261.14993 163.9
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

patents stripe