CID 3049279

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

Structural Information

Molecular Formula
C11H11ClN2O
SMILES
CNCC1=NC=C(O1)C2=CC=CC=C2Cl
InChI
InChI=1S/C11H11ClN2O/c1-13-7-11-14-6-10(15-11)8-4-2-3-5-9(8)12/h2-6,13H,7H2,1H3
InChIKey
FOIVYVOSNIVAST-UHFFFAOYSA-N
Compound name
1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

222.05598 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.063256 147.4
[M+Na]+ 245.045198 157.1
[M-H]- 221.048704 153.7
[M+NH4]+ 240.089803 165.6
[M+K]+ 261.019138 153.4
[M+H-H2O]+ 205.053240 140.5
[M+HCOO]- 267.054181 167.8
[M+CH3COO]- 281.069831 161.1
[M+Na-2H]- 243.030646 153.6
[M]+ 222.05543142 150.8
[M]- 222.05652858 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