CID 82595525

1501146-24-2

Structural Information

Molecular Formula
C7H9NO3
SMILES
CC(CC1=CN=CO1)C(=O)O
InChI
InChI=1S/C7H9NO3/c1-5(7(9)10)2-6-3-8-4-11-6/h3-5H,2H2,1H3,(H,9,10)
InChIKey
TXRKGYACDPFSKB-UHFFFAOYSA-N
Compound name
2-methyl-3-(1,3-oxazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05824 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 130.8
[M+Na]+ 178.047458 138.2
[M-H]- 154.050964 132.5
[M+NH4]+ 173.092063 150.0
[M+K]+ 194.021398 138.8
[M+H-H2O]+ 138.055500 124.9
[M+HCOO]- 200.056441 151.9
[M+CH3COO]- 214.072091 172.2
[M+Na-2H]- 176.032906 135.6
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.