CID 66874030

1014711-93-3

Structural Information

Molecular Formula
C10H10N2O3
SMILES
CN(C)C1=NC2=C(C=CC=C2O1)C(=O)O
InChI
InChI=1S/C10H10N2O3/c1-12(2)10-11-8-6(9(13)14)4-3-5-7(8)15-10/h3-5H,1-2H3,(H,13,14)
InChIKey
OSVJUVPAHAAHOV-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1,3-benzoxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

206.06914 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 141.0
[M+Na]+ 229.058358 151.0
[M-H]- 205.061864 146.1
[M+NH4]+ 224.102963 160.2
[M+K]+ 245.032298 150.8
[M+H-H2O]+ 189.066400 134.7
[M+HCOO]- 251.067341 165.0
[M+CH3COO]- 265.082991 188.4
[M+Na-2H]- 227.043806 147.8
[M]+ 206.06859142 145.8
[M]- 206.06968858 145.8
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