CID 92196

4-methylaminorex

Structural Information

Molecular Formula
C10H12N2O
SMILES
CC1C(OC(=N1)N)C2=CC=CC=C2
InChI
InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)
InChIKey
LJQBMYDFWFGESC-UHFFFAOYSA-N
Compound name
4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

31
References

224
Patents

176.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 136.6
[M+Na]+ 199.08418 145.0
[M-H]- 175.08768 142.7
[M+NH4]+ 194.12878 155.6
[M+K]+ 215.05812 143.3
[M+H-H2O]+ 159.09222 129.6
[M+HCOO]- 221.09316 160.1
[M+CH3COO]- 235.10881 181.2
[M+Na-2H]- 197.06963 142.1
[M]+ 176.09441 135.3
[M]- 176.09551 135.3
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.