CID 59607799

1257444-55-5

Structural Information

Molecular Formula
C7H7NO3
SMILES
CC(=C)C1=NC=C(O1)C(=O)O
InChI
InChI=1S/C7H7NO3/c1-4(2)6-8-3-5(11-6)7(9)10/h3H,1H2,2H3,(H,9,10)
InChIKey
WPCYTHXUWQTKIY-UHFFFAOYSA-N
Compound name
2-prop-1-en-2-yl-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

153.04259 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.049866 128.8
[M+Na]+ 176.031808 137.5
[M-H]- 152.035314 131.0
[M+NH4]+ 171.076413 148.3
[M+K]+ 192.005748 137.5
[M+H-H2O]+ 136.039850 123.4
[M+HCOO]- 198.040791 150.1
[M+CH3COO]- 212.056441 172.5
[M+Na-2H]- 174.017256 133.1
[M]+ 153.04204142 129.9
[M]- 153.04313858 129.9
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