CID 3049273

2-oxazolemethanamine, 5-(4-chlorophenyl)-n,n-dimethyl-, monohydrochloride

Structural Information

Molecular Formula
C12H13ClN2O
SMILES
CN(C)CC1=NC=C(O1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H13ClN2O/c1-15(2)8-12-14-7-11(16-12)9-3-5-10(13)6-4-9/h3-7H,8H2,1-2H3
InChIKey
HDUGFAKIPMIYBW-UHFFFAOYSA-N
Compound name
1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

236.07164 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.078916 152.3
[M+Na]+ 259.060858 161.6
[M-H]- 235.064364 159.9
[M+NH4]+ 254.105463 170.5
[M+K]+ 275.034798 159.1
[M+H-H2O]+ 219.068900 145.0
[M+HCOO]- 281.069841 172.8
[M+CH3COO]- 295.085491 194.8
[M+Na-2H]- 257.046306 157.1
[M]+ 236.07109142 157.3
[M]- 236.07218858 157.3
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