CID 12007182

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

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

18
Patents

129.04259 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.049866 122.3
[M+Na]+ 152.031808 130.7
[M-H]- 128.035314 124.2
[M+NH4]+ 147.076413 142.8
[M+K]+ 168.005748 131.5
[M+H-H2O]+ 112.039850 117.0
[M+HCOO]- 174.040791 143.5
[M+CH3COO]- 188.056441 166.8
[M+Na-2H]- 150.017256 127.8
[M]+ 129.04204142 122.5
[M]- 129.04313858 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