CID 46402

64037-28-1

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CCOC(=O)CCN1C2=CC=CC=C2OC1=N
InChI
InChI=1S/C12H14N2O3/c1-2-16-11(15)7-8-14-9-5-3-4-6-10(9)17-12(14)13/h3-6,13H,2,7-8H2,1H3
InChIKey
CEZZCJWBLHCTMD-UHFFFAOYSA-N
Compound name
ethyl 3-(2-imino-1,3-benzoxazol-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 149.6
[M+Na]+ 257.08967 159.3
[M-H]- 233.09317 154.3
[M+NH4]+ 252.13427 167.8
[M+K]+ 273.06361 157.5
[M+H-H2O]+ 217.09771 142.8
[M+HCOO]- 279.09865 174.1
[M+CH3COO]- 293.11430 192.1
[M+Na-2H]- 255.07512 156.4
[M]+ 234.09990 155.0
[M]- 234.10100 155.0
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.