CID 3035293

1911-62-2

Structural Information

Molecular Formula
C11H16NO3P
SMILES
CCCCNP1(=O)OCC2=CC=CC=C2O1
InChI
InChI=1S/C11H16NO3P/c1-2-3-8-12-16(13)14-9-10-6-4-5-7-11(10)15-16/h4-7H,2-3,8-9H2,1H3,(H,12,13)
InChIKey
CKLORGWAJNOBOD-UHFFFAOYSA-N
Compound name
N-butyl-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09406 155.2
[M+Na]+ 264.07600 161.8
[M-H]- 240.07950 159.3
[M+NH4]+ 259.12060 173.2
[M+K]+ 280.04994 162.0
[M+H-H2O]+ 224.08404 146.4
[M+HCOO]- 286.08498 181.0
[M+CH3COO]- 300.10063 193.6
[M+Na-2H]- 262.06145 161.7
[M]+ 241.08623 157.6
[M]- 241.08733 157.6
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

No patent data available for this compound.