CID 12208914

34172-98-0

Structural Information

Molecular Formula
C10H9NO4
SMILES
COC1=CC2=C(C=C1)ON=C2CC(=O)O
InChI
InChI=1S/C10H9NO4/c1-14-6-2-3-9-7(4-6)8(11-15-9)5-10(12)13/h2-4H,5H2,1H3,(H,12,13)
InChIKey
RNSRRFHVEAJNEJ-UHFFFAOYSA-N
Compound name
2-(5-methoxy-1,2-benzoxazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

207.05316 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06044 139.4
[M+Na]+ 230.04238 150.0
[M-H]- 206.04588 143.1
[M+NH4]+ 225.08698 158.2
[M+K]+ 246.01632 149.1
[M+H-H2O]+ 190.05042 133.5
[M+HCOO]- 252.05136 162.1
[M+CH3COO]- 266.06701 182.1
[M+Na-2H]- 228.02783 146.6
[M]+ 207.05261 145.2
[M]- 207.05371 145.2
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