CID 53738

Brn 0519506

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1=C(C(=CC=C1)C)CNC2=NCCO2
InChI
InChI=1S/C12H16N2O/c1-9-4-3-5-10(2)11(9)8-14-12-13-6-7-15-12/h3-5H,6-8H2,1-2H3,(H,13,14)
InChIKey
YUWNQHOSMXFBIK-UHFFFAOYSA-N
Compound name
N-[(2,6-dimethylphenyl)methyl]-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

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 145.7
[M+Na]+ 227.11549 153.3
[M-H]- 203.11899 152.0
[M+NH4]+ 222.16009 163.9
[M+K]+ 243.08943 151.5
[M+H-H2O]+ 187.12353 138.3
[M+HCOO]- 249.12447 169.2
[M+CH3COO]- 263.14012 187.3
[M+Na-2H]- 225.10094 151.1
[M]+ 204.12572 146.0
[M]- 204.12682 146.0
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

No patent data available for this compound.