CID 71683764

[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine

Structural Information

Molecular Formula
C11H11ClN2O
SMILES
CC1=C(OC(=N1)CN)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H11ClN2O/c1-7-11(15-10(6-13)14-7)8-2-4-9(12)5-3-8/h2-5H,6,13H2,1H3
InChIKey
UKQPXMCCYSGFEO-UHFFFAOYSA-N
Compound name
[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.05598 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06326 148.1
[M+Na]+ 245.04520 158.7
[M-H]- 221.04870 154.3
[M+NH4]+ 240.08980 166.4
[M+K]+ 261.01914 154.7
[M+H-H2O]+ 205.05324 141.5
[M+HCOO]- 267.05418 167.9
[M+CH3COO]- 281.06983 161.8
[M+Na-2H]- 243.03065 152.5
[M]+ 222.05543 150.9
[M]- 222.05653 150.9
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.