CID 21197975

2247102-72-1

Structural Information

Molecular Formula
C5H5NO3
SMILES
C1=C(OC=N1)CC(=O)O
InChI
InChI=1S/C5H5NO3/c7-5(8)1-4-2-6-3-9-4/h2-3H,1H2,(H,7,8)
InChIKey
QAKWBLBIYHZRIY-UHFFFAOYSA-N
Compound name
2-(1,3-oxazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

127.02694 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.034216 120.8
[M+Na]+ 150.016158 129.3
[M-H]- 126.019664 122.7
[M+NH4]+ 145.060763 141.2
[M+K]+ 165.990098 130.0
[M+H-H2O]+ 110.024200 115.2
[M+HCOO]- 172.025141 143.5
[M+CH3COO]- 186.040791 165.3
[M+Na-2H]- 148.001606 128.0
[M]+ 127.02639142 122.1
[M]- 127.02748858 122.1
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