CID 3068128

Bayer 60830

Structural Information

Molecular Formula
C11H16N3O3P
SMILES
CN(C)P(=O)(N(C)C)OC1=NOC2=CC=CC=C21
InChI
InChI=1S/C11H16N3O3P/c1-13(2)18(15,14(3)4)17-11-9-7-5-6-8-10(9)16-12-11/h5-8H,1-4H3
InChIKey
PWTMYJLDVNZOEW-UHFFFAOYSA-N
Compound name
N-[1,2-benzoxazol-3-yloxy(dimethylamino)phosphoryl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.09293 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10021 160.1
[M+Na]+ 292.08215 167.9
[M-H]- 268.08565 166.2
[M+NH4]+ 287.12675 177.9
[M+K]+ 308.05609 169.9
[M+H-H2O]+ 252.09019 150.4
[M+HCOO]- 314.09113 191.0
[M+CH3COO]- 328.10678 207.6
[M+Na-2H]- 290.06760 165.3
[M]+ 269.09238 168.2
[M]- 269.09348 168.2
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.