CID 88358

Diethyl p-aminobenzylphosphonate

Structural Information

Molecular Formula
C11H18NO3P
SMILES
CCOP(=O)(CC1=CC=C(C=C1)N)OCC
InChI
InChI=1S/C11H18NO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9,12H2,1-2H3
InChIKey
ZVAYUUUQOCPZCZ-UHFFFAOYSA-N
Compound name
4-(diethoxyphosphorylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

682
Patents

243.10243 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10971 157.3
[M+Na]+ 266.09165 163.8
[M-H]- 242.09515 159.1
[M+NH4]+ 261.13625 174.9
[M+K]+ 282.06559 162.2
[M+H-H2O]+ 226.09969 148.6
[M+HCOO]- 288.10063 185.9
[M+CH3COO]- 302.11628 195.4
[M+Na-2H]- 264.07710 159.8
[M]+ 243.10188 161.0
[M]- 243.10298 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.