CID 19991630

4486-00-4

Structural Information

Molecular Formula
C5H7NO3
SMILES
CC1CC(=NO1)C(=O)O
InChI
InChI=1S/C5H7NO3/c1-3-2-4(5(7)8)6-9-3/h3H,2H2,1H3,(H,7,8)
InChIKey
DZGJLITZBSTRQH-UHFFFAOYSA-N
Compound name
5-methyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 122.3
[M+Na]+ 152.03181 130.7
[M-H]- 128.03531 124.2
[M+NH4]+ 147.07641 142.8
[M+K]+ 168.00575 131.5
[M+H-H2O]+ 112.03985 117.0
[M+HCOO]- 174.04079 143.5
[M+CH3COO]- 188.05644 166.8
[M+Na-2H]- 150.01726 127.8
[M]+ 129.04204 122.5
[M]- 129.04314 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

patents stripe