CID 3049277

2-oxazolemethanamine, 5-(3-chlorophenyl)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C11H11ClN2O
SMILES
CNCC1=NC=C(O1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C11H11ClN2O/c1-13-7-11-14-6-10(15-11)8-3-2-4-9(12)5-8/h2-6,13H,7H2,1H3
InChIKey
LOMDBNALUIWXHR-UHFFFAOYSA-N
Compound name
1-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.05598 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06326 147.4
[M+Na]+ 245.04520 157.1
[M-H]- 221.04870 153.7
[M+NH4]+ 240.08980 165.6
[M+K]+ 261.01914 153.4
[M+H-H2O]+ 205.05324 140.5
[M+HCOO]- 267.05418 167.8
[M+CH3COO]- 281.06983 161.1
[M+Na-2H]- 243.03065 153.6
[M]+ 222.05543 150.8
[M]- 222.05653 150.8
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

patents stripe