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 145.3
[M+Na]+ 249.04012 157.7
[M-H]- 225.04362 151.7
[M+NH4]+ 244.08472 165.7
[M+K]+ 265.01406 155.4
[M+H-H2O]+ 209.04816 139.5
[M+HCOO]- 271.04910 166.8
[M+CH3COO]- 285.06475 192.9
[M+Na-2H]- 247.02557 152.2
[M]+ 226.05035 153.5
[M]- 226.05145 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.