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]+ 235.10773 152.1
[M+Na]+ 257.08967 163.4
[M+NH4]+ 252.13427 159.2
[M+K]+ 273.06361 160.4
[M-H]- 233.09317 156.0
[M+Na-2H]- 255.07512 158.0
[M]+ 234.09990 154.6
[M]- 234.10100 154.6
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.