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]+ 223.063256 148.1
[M+Na]+ 245.045198 158.7
[M-H]- 221.048704 154.3
[M+NH4]+ 240.089803 166.4
[M+K]+ 261.019138 154.7
[M+H-H2O]+ 205.053240 141.5
[M+HCOO]- 267.054181 167.9
[M+CH3COO]- 281.069831 161.8
[M+Na-2H]- 243.030646 152.5
[M]+ 222.05543142 150.9
[M]- 222.05652858 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.