CID 29895

19986-35-7

Structural Information

Molecular Formula
C10H11ClN2O2
SMILES
CN(C)CN1C2=C(C=CC(=C2)Cl)OC1=O
InChI
InChI=1S/C10H11ClN2O2/c1-12(2)6-13-8-5-7(11)3-4-9(8)15-10(13)14/h3-5H,6H2,1-2H3
InChIKey
DXPMJCLOFQOSSS-UHFFFAOYSA-N
Compound name
5-chloro-3-[(dimethylamino)methyl]-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0509 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05818 143.7
[M+Na]+ 249.04012 158.5
[M+NH4]+ 244.08472 152.4
[M+K]+ 265.01406 153.8
[M-H]- 225.04362 147.4
[M+Na-2H]- 247.02557 150.0
[M]+ 226.05035 147.2
[M]- 226.05145 147.2
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.