CID 120567

1774-97-6

Structural Information

Molecular Formula
C9H12NO3P
SMILES
CN(C)P1(=O)OCC2=CC=CC=C2O1
InChI
InChI=1S/C9H12NO3P/c1-10(2)14(11)12-7-8-5-3-4-6-9(8)13-14/h3-6H,7H2,1-2H3
InChIKey
LGUXMDWHTWQPSN-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.05548 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06276 145.1
[M+Na]+ 236.04470 152.8
[M-H]- 212.04820 151.1
[M+NH4]+ 231.08930 164.9
[M+K]+ 252.01864 154.9
[M+H-H2O]+ 196.05274 136.7
[M+HCOO]- 258.05368 172.1
[M+CH3COO]- 272.06933 190.9
[M+Na-2H]- 234.03015 152.0
[M]+ 213.05493 148.1
[M]- 213.05603 148.1
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.