CID 211591

2-oxazolamine, n-(3,4-dimethylphenyl)-4,5-dihydro-

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC1=C(C=C(C=C1)NC2=NCCO2)C
InChI
InChI=1S/C11H14N2O/c1-8-3-4-10(7-9(8)2)13-11-12-5-6-14-11/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKey
MMIVCLZBEXROHU-UHFFFAOYSA-N
Compound name
N-(3,4-dimethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

190.11061 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 141.1
[M+Na]+ 213.099828 149.1
[M-H]- 189.103334 147.5
[M+NH4]+ 208.144433 159.8
[M+K]+ 229.073768 147.6
[M+H-H2O]+ 173.107870 133.9
[M+HCOO]- 235.108811 164.9
[M+CH3COO]- 249.124461 184.3
[M+Na-2H]- 211.085276 147.0
[M]+ 190.11006142 141.0
[M]- 190.11115858 141.0
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