CID 43115680

119162-59-3

Structural Information

Molecular Formula
C11H12N2O
SMILES
C1=CC=C(C=C1)CCC2=NOC(=C2)N
InChI
InChI=1S/C11H12N2O/c12-11-8-10(13-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7,12H2
InChIKey
NZGZLQLPYDXMJG-UHFFFAOYSA-N
Compound name
3-(2-phenylethyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

188.09496 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 139.4
[M+Na]+ 211.084178 147.5
[M-H]- 187.087684 145.3
[M+NH4]+ 206.128783 157.7
[M+K]+ 227.058118 145.4
[M+H-H2O]+ 171.092220 132.0
[M+HCOO]- 233.093161 164.1
[M+CH3COO]- 247.108811 182.8
[M+Na-2H]- 209.069626 146.1
[M]+ 188.09441142 139.5
[M]- 188.09550858 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