CID 24229716

852227-84-0

Structural Information

Molecular Formula
C11H12N2O
SMILES
CNCC1=CC(=NO1)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2O/c1-12-8-10-7-11(13-14-10)9-5-3-2-4-6-9/h2-7,12H,8H2,1H3
InChIKey
IUBUISGKALKRFN-UHFFFAOYSA-N
Compound name
N-methyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

188.09496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 140.3
[M+Na]+ 211.08418 153.7
[M+NH4]+ 206.12878 149.2
[M+K]+ 227.05812 148.6
[M-H]- 187.08768 145.8
[M+Na-2H]- 209.06963 149.0
[M]+ 188.09441 143.8
[M]- 188.09551 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe