CID 6193964

85743-59-5

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC=C2C(=C1)N=C(O2)/C=C/C(=O)O
InChI
InChI=1S/C10H7NO3/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-6H,(H,12,13)/b6-5+
InChIKey
XNJWCEYKQQMNIC-AATRIKPKSA-N
Compound name
(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

189.04259 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.049866 136.0
[M+Na]+ 212.031808 146.2
[M-H]- 188.035314 139.3
[M+NH4]+ 207.076413 155.3
[M+K]+ 228.005748 144.1
[M+H-H2O]+ 172.039850 130.1
[M+HCOO]- 234.040791 158.7
[M+CH3COO]- 248.056441 177.2
[M+Na-2H]- 210.017256 143.8
[M]+ 189.04204142 139.1
[M]- 189.04313858 139.1
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