CID 642418

4,5-dihydro-1,2-oxazole-3-carboxylic acid

Structural Information

Molecular Formula
C4H5NO3
SMILES
C1CON=C1C(=O)O
InChI
InChI=1S/C4H5NO3/c6-4(7)3-1-2-8-5-3/h1-2H2,(H,6,7)
InChIKey
ZYDBNGULYNHMSF-UHFFFAOYSA-N
Compound name
4,5-dihydro-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

330
Patents

115.02694 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.03422 118.1
[M+Na]+ 138.01616 126.0
[M-H]- 114.01966 119.7
[M+NH4]+ 133.06076 138.8
[M+K]+ 153.99010 127.1
[M+H-H2O]+ 98.024200 112.7
[M+HCOO]- 160.02514 139.7
[M+CH3COO]- 174.04079 162.6
[M+Na-2H]- 136.00161 124.8
[M]+ 115.02639 117.6
[M]- 115.02749 117.6
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