CID 19752

Clominorex

Structural Information

Molecular Formula
C9H9ClN2O
SMILES
C1C(OC(=N1)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C9H9ClN2O/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-4,8H,5H2,(H2,11,12)
InChIKey
HAHOPPGVHWVBRR-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2122
Patents

196.04034 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04762 140.1
[M+Na]+ 219.02956 149.6
[M-H]- 195.03306 145.9
[M+NH4]+ 214.07416 159.0
[M+K]+ 235.00350 146.2
[M+H-H2O]+ 179.03760 133.6
[M+HCOO]- 241.03854 159.1
[M+CH3COO]- 255.05419 153.8
[M+Na-2H]- 217.01501 145.3
[M]+ 196.03979 140.3
[M]- 196.04089 140.3
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.