CID 133360

80073-32-1

Structural Information

Molecular Formula
C7H9NO3
SMILES
CC1=CC(=NO1)CCC(=O)O
InChI
InChI=1S/C7H9NO3/c1-5-4-6(8-11-5)2-3-7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKey
XSJUUJCTQWMNNG-UHFFFAOYSA-N
Compound name
3-(5-methyl-1,2-oxazol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

155.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 129.8
[M+Na]+ 178.047458 138.4
[M-H]- 154.050964 131.7
[M+NH4]+ 173.092063 149.4
[M+K]+ 194.021398 138.5
[M+H-H2O]+ 138.055500 124.1
[M+HCOO]- 200.056441 151.9
[M+CH3COO]- 214.072091 172.5
[M+Na-2H]- 176.032906 135.2
[M]+ 155.05769142 132.2
[M]- 155.05878858 132.2
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