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
2
Annotation Hits

0
References

2133
Patents

196.04034 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.047616 140.1
[M+Na]+ 219.029558 149.6
[M-H]- 195.033064 145.9
[M+NH4]+ 214.074163 159.0
[M+K]+ 235.003498 146.2
[M+H-H2O]+ 179.037600 133.6
[M+HCOO]- 241.038541 159.1
[M+CH3COO]- 255.054191 153.8
[M+Na-2H]- 217.015006 145.3
[M]+ 196.03979142 140.3
[M]- 196.04088858 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

literature stripe

Patent stripe

patents stripe