CID 365131

75762-23-1

Structural Information

Molecular Formula
C10H9NO3
SMILES
COC(=O)CC1=NC2=CC=CC=C2O1
InChI
InChI=1S/C10H9NO3/c1-13-10(12)6-9-11-7-4-2-3-5-8(7)14-9/h2-5H,6H2,1H3
InChIKey
MNHNHFXKAPDHJQ-UHFFFAOYSA-N
Compound name
methyl 2-(1,3-benzoxazol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

191.05824 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 136.5
[M+Na]+ 214.04746 146.9
[M-H]- 190.05096 141.2
[M+NH4]+ 209.09206 156.6
[M+K]+ 230.02140 146.3
[M+H-H2O]+ 174.05550 130.4
[M+HCOO]- 236.05644 160.6
[M+CH3COO]- 250.07209 180.6
[M+Na-2H]- 212.03291 144.7
[M]+ 191.05769 142.2
[M]- 191.05879 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe