CID 294243

P-toluic acid, 3-(2-oxazolinyl)amino-, methyl ester

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CC1=C(C=C(C=C1)C(=O)OC)NC2=NCCO2
InChI
InChI=1S/C12H14N2O3/c1-8-3-4-9(11(15)16-2)7-10(8)14-12-13-5-6-17-12/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKey
QDDBTTSWVOTEIW-UHFFFAOYSA-N
Compound name
methyl 3-(4,5-dihydro-1,3-oxazol-2-ylamino)-4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 151.4
[M+Na]+ 257.089668 158.8
[M-H]- 233.093174 157.8
[M+NH4]+ 252.134273 168.1
[M+K]+ 273.063608 158.0
[M+H-H2O]+ 217.097710 143.8
[M+HCOO]- 279.098651 174.5
[M+CH3COO]- 293.114301 190.9
[M+Na-2H]- 255.075116 155.6
[M]+ 234.09990142 153.1
[M]- 234.10099858 153.1
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.