CID 177798240

3017193-51-7

Structural Information

Molecular Formula
C7H5NO3
SMILES
CC1=C(N=C(O1)C(=O)O)C#C
InChI
InChI=1S/C7H5NO3/c1-3-5-4(2)11-6(8-5)7(9)10/h1H,2H3,(H,9,10)
InChIKey
CEFHQDAHLACJOV-UHFFFAOYSA-N
Compound name
4-ethynyl-5-methyl-1,3-oxazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.02695 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.034226 126.1
[M+Na]+ 174.016168 137.7
[M-H]- 150.019674 126.7
[M+NH4]+ 169.060773 143.6
[M+K]+ 189.990108 136.2
[M+H-H2O]+ 134.024210 114.2
[M+HCOO]- 196.025151 142.5
[M+CH3COO]- 210.040801 181.1
[M+Na-2H]- 172.001616 130.1
[M]+ 151.02640142 122.5
[M]- 151.02749858 122.5
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

No patent data available for this compound.