CID 37119

2-(alpha-ethylbenzylamino)-2-oxazoline

Structural Information

Molecular Formula
C12H16N2O
SMILES
CCC(C1=CC=CC=C1)NC2=NCCO2
InChI
InChI=1S/C12H16N2O/c1-2-11(10-6-4-3-5-7-10)14-12-13-8-9-15-12/h3-7,11H,2,8-9H2,1H3,(H,13,14)
InChIKey
CHIAPEJQBFMUFH-UHFFFAOYSA-N
Compound name
N-(1-phenylpropyl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 147.0
[M+Na]+ 227.11549 158.5
[M+NH4]+ 222.16009 155.5
[M+K]+ 243.08943 154.0
[M-H]- 203.11899 152.0
[M+Na-2H]- 225.10094 154.4
[M]+ 204.12572 150.0
[M]- 204.12682 150.0
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

No patent data available for this compound.