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]+ 237.07892 152.3
[M+Na]+ 259.06086 161.6
[M-H]- 235.06436 159.9
[M+NH4]+ 254.10546 170.5
[M+K]+ 275.03480 159.1
[M+H-H2O]+ 219.06890 145.0
[M+HCOO]- 281.06984 172.8
[M+CH3COO]- 295.08549 194.8
[M+Na-2H]- 257.04631 157.1
[M]+ 236.07109 157.3
[M]- 236.07219 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