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

4
Patents

155.05824 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 131.0
[M+Na]+ 178.047458 140.6
[M-H]- 154.050964 136.8
[M+NH4]+ 173.092063 145.5
[M+K]+ 194.021398 139.2
[M+H-H2O]+ 138.055500 124.7
[M+HCOO]- 200.056441 151.7
[M+CH3COO]- 214.072091 175.2
[M+Na-2H]- 176.032906 135.8
[M]+ 155.05769142 133.3
[M]- 155.05878858 133.3
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