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 131.0
[M+Na]+ 178.04746 140.6
[M-H]- 154.05096 136.8
[M+NH4]+ 173.09206 145.5
[M+K]+ 194.02140 139.2
[M+H-H2O]+ 138.05550 124.7
[M+HCOO]- 200.05644 151.7
[M+CH3COO]- 214.07209 175.2
[M+Na-2H]- 176.03291 135.8
[M]+ 155.05769 133.3
[M]- 155.05879 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