CID 35529

30831-96-0

Structural Information

Molecular Formula
C11H13NO4
SMILES
CCOC(=O)N1C(OC2=CC=CC=C21)OC
InChI
InChI=1S/C11H13NO4/c1-3-15-10(13)12-8-6-4-5-7-9(8)16-11(12)14-2/h4-7,11H,3H2,1-2H3
InChIKey
OFDMOELKFCRQKE-UHFFFAOYSA-N
Compound name
ethyl 2-methoxy-2H-1,3-benzoxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.08446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 146.6
[M+Na]+ 246.073678 155.3
[M-H]- 222.077184 150.7
[M+NH4]+ 241.118283 165.4
[M+K]+ 262.047618 155.4
[M+H-H2O]+ 206.081720 140.4
[M+HCOO]- 268.082661 167.6
[M+CH3COO]- 282.098311 186.9
[M+Na-2H]- 244.059126 151.7
[M]+ 223.08391142 151.5
[M]- 223.08500858 151.5
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.