CID 18071418

2-(2-phenyl-1,3-oxazol-4-yl)ethan-1-amine

Structural Information

Molecular Formula
C11H12N2O
SMILES
C1=CC=C(C=C1)C2=NC(=CO2)CCN
InChI
InChI=1S/C11H12N2O/c12-7-6-10-8-14-11(13-10)9-4-2-1-3-5-9/h1-5,8H,6-7,12H2
InChIKey
BWSFNBUVKPIXTH-UHFFFAOYSA-N
Compound name
2-(2-phenyl-1,3-oxazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 139.4
[M+Na]+ 211.08418 147.5
[M-H]- 187.08768 145.3
[M+NH4]+ 206.12878 157.7
[M+K]+ 227.05812 145.4
[M+H-H2O]+ 171.09222 132.0
[M+HCOO]- 233.09316 164.1
[M+CH3COO]- 247.10881 182.8
[M+Na-2H]- 209.06963 146.1
[M]+ 188.09441 139.5
[M]- 188.09551 139.5
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