CID 75532040

1236483-20-7

Structural Information

Molecular Formula
C7H9NO3
SMILES
CC1=C(OC(=N1)C)CC(=O)O
InChI
InChI=1S/C7H9NO3/c1-4-6(3-7(9)10)11-5(2)8-4/h3H2,1-2H3,(H,9,10)
InChIKey
HJRJUCAGULIWCG-UHFFFAOYSA-N
Compound name
2-(2,4-dimethyl-1,3-oxazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 129.1
[M+Na]+ 178.04746 138.7
[M-H]- 154.05096 131.5
[M+NH4]+ 173.09206 149.1
[M+K]+ 194.02140 138.8
[M+H-H2O]+ 138.05550 123.9
[M+HCOO]- 200.05644 151.2
[M+CH3COO]- 214.07209 173.7
[M+Na-2H]- 176.03291 134.0
[M]+ 155.05769 132.0
[M]- 155.05879 132.0
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

No patent data available for this compound.