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

688
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

literature stripe

Patent stripe

patents stripe