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]+ 224.09174 146.6
[M+Na]+ 246.07368 155.3
[M-H]- 222.07718 150.7
[M+NH4]+ 241.11828 165.4
[M+K]+ 262.04762 155.4
[M+H-H2O]+ 206.08172 140.4
[M+HCOO]- 268.08266 167.6
[M+CH3COO]- 282.09831 186.9
[M+Na-2H]- 244.05913 151.7
[M]+ 223.08391 151.5
[M]- 223.08501 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.