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 146.2
[M+Na]+ 227.11549 151.5
[M-H]- 203.11899 151.7
[M+NH4]+ 222.16009 163.6
[M+K]+ 243.08943 150.3
[M+H-H2O]+ 187.12353 138.3
[M+HCOO]- 249.12447 168.7
[M+CH3COO]- 263.14012 185.9
[M+Na-2H]- 225.10094 151.7
[M]+ 204.12572 145.0
[M]- 204.12682 145.0
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

patents stripe