CID 3063348

Phosphonic acid, 2-pyridylmethyl-, dipropyl ester

Structural Information

Molecular Formula
C12H20NO3P
SMILES
CCCOP(=O)(CC1=CC=CC=N1)OCCC
InChI
InChI=1S/C12H20NO3P/c1-3-9-15-17(14,16-10-4-2)11-12-7-5-6-8-13-12/h5-8H,3-4,9-11H2,1-2H3
InChIKey
VADJUAJDXQHOHI-UHFFFAOYSA-N
Compound name
2-(dipropoxyphosphorylmethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.11807 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12535 162.6
[M+Na]+ 280.10729 168.6
[M-H]- 256.11079 163.0
[M+NH4]+ 275.15189 178.6
[M+K]+ 296.08123 167.1
[M+H-H2O]+ 240.11533 152.9
[M+HCOO]- 302.11627 189.2
[M+CH3COO]- 316.13192 195.6
[M+Na-2H]- 278.09274 166.0
[M]+ 257.11752 168.6
[M]- 257.11862 168.6
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