CID 13042084

4992-21-6

Structural Information

Molecular Formula
C5H5NO3
SMILES
C1=C(ON=C1)CC(=O)O
InChI
InChI=1S/C5H5NO3/c7-5(8)3-4-1-2-6-9-4/h1-2H,3H2,(H,7,8)
InChIKey
XQFWVJKTSSNQMC-UHFFFAOYSA-N
Compound name
2-(1,2-oxazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

127.02694 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.03422 120.8
[M+Na]+ 150.01616 129.3
[M-H]- 126.01966 122.7
[M+NH4]+ 145.06076 141.2
[M+K]+ 165.99010 130.0
[M+H-H2O]+ 110.02420 115.2
[M+HCOO]- 172.02514 143.5
[M+CH3COO]- 186.04079 165.3
[M+Na-2H]- 148.00161 128.0
[M]+ 127.02639 122.1
[M]- 127.02749 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

literature stripe

Patent stripe

patents stripe