CID 46393

64037-20-3

Structural Information

Molecular Formula
C9H9ClN2O
SMILES
CN(C)C1=NC2=C(O1)C=CC(=C2)Cl
InChI
InChI=1S/C9H9ClN2O/c1-12(2)9-11-7-5-6(10)3-4-8(7)13-9/h3-5H,1-2H3
InChIKey
PEIPXRWFLGUKQA-UHFFFAOYSA-N
Compound name
5-chloro-N,N-dimethyl-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

35
Patents

196.04034 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04762 138.3
[M+Na]+ 219.02956 150.1
[M-H]- 195.03306 144.4
[M+NH4]+ 214.07416 159.7
[M+K]+ 235.00350 148.0
[M+H-H2O]+ 179.03760 132.4
[M+HCOO]- 241.03854 159.7
[M+CH3COO]- 255.05419 153.6
[M+Na-2H]- 217.01501 146.4
[M]+ 196.03979 145.0
[M]- 196.04089 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe