CID 62313264

1249837-95-3

Structural Information

Molecular Formula
C7H9NO3
SMILES
C1CC1C2=NOC(C2)C(=O)O
InChI
InChI=1S/C7H9NO3/c9-7(10)6-3-5(8-11-6)4-1-2-4/h4,6H,1-3H2,(H,9,10)
InChIKey
MCCBPKHVYWIUHB-UHFFFAOYSA-N
Compound name
3-cyclopropyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

155.05824 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 134.0
[M+Na]+ 178.04746 145.5
[M+NH4]+ 173.09206 141.9
[M+K]+ 194.02140 144.8
[M-H]- 154.05096 142.7
[M+Na-2H]- 176.03291 140.5
[M]+ 155.05769 138.9
[M]- 155.05879 138.9
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