CID 82413932

2-(5-cyclopropyl-1,2-oxazol-3-yl)acetic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1CC1C2=CC(=NO2)CC(=O)O
InChI
InChI=1S/C8H9NO3/c10-8(11)4-6-3-7(12-9-6)5-1-2-5/h3,5H,1-2,4H2,(H,10,11)
InChIKey
BHBXFEXSJWIJKJ-UHFFFAOYSA-N
Compound name
2-(5-cyclopropyl-1,2-oxazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

167.05824 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 133.5
[M+Na]+ 190.04746 143.7
[M-H]- 166.05096 139.5
[M+NH4]+ 185.09206 147.7
[M+K]+ 206.02140 141.9
[M+H-H2O]+ 150.05550 127.1
[M+HCOO]- 212.05644 155.4
[M+CH3COO]- 226.07209 177.7
[M+Na-2H]- 188.03291 138.7
[M]+ 167.05769 137.5
[M]- 167.05879 137.5
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