CID 37121

2-(alpha-methylbenzylamino)-2-oxazoline

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC(C1=CC=CC=C1)NC2=NCCO2
InChI
InChI=1S/C11H14N2O/c1-9(10-5-3-2-4-6-10)13-11-12-7-8-14-11/h2-6,9H,7-8H2,1H3,(H,12,13)
InChIKey
WYPMHBYVJVHWTK-UHFFFAOYSA-N
Compound name
N-(1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

190.11061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 141.5
[M+Na]+ 213.09983 147.3
[M-H]- 189.10333 147.2
[M+NH4]+ 208.14443 159.5
[M+K]+ 229.07377 146.3
[M+H-H2O]+ 173.10787 133.9
[M+HCOO]- 235.10881 164.3
[M+CH3COO]- 249.12446 182.9
[M+Na-2H]- 211.08528 147.6
[M]+ 190.11006 140.0
[M]- 190.11116 140.0
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