CID 23282284

90322-32-0

Structural Information

Molecular Formula
C9H7NO3
SMILES
CC1=NC2=C(O1)C=CC(=C2)C(=O)O
InChI
InChI=1S/C9H7NO3/c1-5-10-7-4-6(9(11)12)2-3-8(7)13-5/h2-4H,1H3,(H,11,12)
InChIKey
ICISTTBZCYNXMA-UHFFFAOYSA-N
Compound name
2-methyl-1,3-benzoxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

177.04259 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04987 132.6
[M+Na]+ 200.03181 146.1
[M+NH4]+ 195.07641 140.5
[M+K]+ 216.00575 143.2
[M-H]- 176.03531 134.6
[M+Na-2H]- 198.01726 138.0
[M]+ 177.04204 135.0
[M]- 177.04314 135.0
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

patents stripe