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]+ 227.058176 145.3
[M+Na]+ 249.040118 157.7
[M-H]- 225.043624 151.7
[M+NH4]+ 244.084723 165.7
[M+K]+ 265.014058 155.4
[M+H-H2O]+ 209.048160 139.5
[M+HCOO]- 271.049101 166.8
[M+CH3COO]- 285.064751 192.9
[M+Na-2H]- 247.025566 152.2
[M]+ 226.05035142 153.5
[M]- 226.05144858 153.5
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.