CID 82416432

2825006-42-4

Structural Information

Molecular Formula
C7H9NO3
SMILES
CC(C)C1=CN=C(O1)C(=O)O
InChI
InChI=1S/C7H9NO3/c1-4(2)5-3-8-6(11-5)7(9)10/h3-4H,1-2H3,(H,9,10)
InChIKey
KANUWCQUCWZXGL-UHFFFAOYSA-N
Compound name
5-propan-2-yl-1,3-oxazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

155.05824 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 130.1
[M+Na]+ 178.047458 138.5
[M-H]- 154.050964 132.2
[M+NH4]+ 173.092063 149.6
[M+K]+ 194.021398 139.0
[M+H-H2O]+ 138.055500 124.6
[M+HCOO]- 200.056441 151.2
[M+CH3COO]- 214.072091 173.4
[M+Na-2H]- 176.032906 134.3
[M]+ 155.05769142 131.9
[M]- 155.05878858 131.9
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