CID 12007182

473700-52-6

Structural Information

Molecular Formula
C5H7NO3
SMILES
CC1=NOC(C1)C(=O)O
InChI
InChI=1S/C5H7NO3/c1-3-2-4(5(7)8)9-6-3/h4H,2H2,1H3,(H,7,8)
InChIKey
ADUZMHIDLNHECM-UHFFFAOYSA-N
Compound name
3-methyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

129.04259 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 123.5
[M+Na]+ 152.03181 133.5
[M+NH4]+ 147.07641 130.6
[M+K]+ 168.00575 132.3
[M-H]- 128.03531 123.8
[M+Na-2H]- 150.01726 126.8
[M]+ 129.04204 124.7
[M]- 129.04314 124.7
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