CID 20741615

4,4'-dimethylaminorex

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC1C(OC(=N1)N)C2=CC=C(C=C2)C
InChI
InChI=1S/C11H14N2O/c1-7-3-5-9(6-4-7)10-8(2)13-11(12)14-10/h3-6,8,10H,1-2H3,(H2,12,13)
InChIKey
NPILLHMQNMXXTL-UHFFFAOYSA-N
Compound name
4-methyl-5-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

134
Patents

190.11061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 141.4
[M+Na]+ 213.099828 150.4
[M-H]- 189.103334 147.7
[M+NH4]+ 208.144433 160.2
[M+K]+ 229.073768 148.4
[M+H-H2O]+ 173.107870 134.6
[M+HCOO]- 235.108811 164.6
[M+CH3COO]- 249.124461 185.5
[M+Na-2H]- 211.085276 145.6
[M]+ 190.11006142 140.9
[M]- 190.11115858 140.9
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