CID 4196879

2,4,3-benzodioxaphosphepin-3-amine, n,n-diethyl-1,5-dihydro-

Structural Information

Molecular Formula
C12H18NO2P
SMILES
CCN(CC)P1OCC2=CC=CC=C2CO1
InChI
InChI=1S/C12H18NO2P/c1-3-13(4-2)16-14-9-11-7-5-6-8-12(11)10-15-16/h5-8H,3-4,9-10H2,1-2H3
InChIKey
JDAKPBBWYIWXJF-UHFFFAOYSA-N
Compound name
N,N-diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

300
Patents

239.10751 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11479 154.1
[M+Na]+ 262.09673 157.8
[M-H]- 238.10023 160.4
[M+NH4]+ 257.14133 169.9
[M+K]+ 278.07067 163.0
[M+H-H2O]+ 222.10477 146.2
[M+HCOO]- 284.10571 178.8
[M+CH3COO]- 298.12136 199.8
[M+Na-2H]- 260.08218 157.9
[M]+ 239.10696 153.8
[M]- 239.10806 153.8
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