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 151.4
[M+Na]+ 257.08967 158.8
[M-H]- 233.09317 157.8
[M+NH4]+ 252.13427 168.1
[M+K]+ 273.06361 158.0
[M+H-H2O]+ 217.09771 143.8
[M+HCOO]- 279.09865 174.5
[M+CH3COO]- 293.11430 190.9
[M+Na-2H]- 255.07512 155.6
[M]+ 234.09990 153.1
[M]- 234.10100 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.