CID 82413932

1368177-97-2

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

13
Patents

167.05824 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 133.5
[M+Na]+ 190.047458 143.7
[M-H]- 166.050964 139.5
[M+NH4]+ 185.092063 147.7
[M+K]+ 206.021398 141.9
[M+H-H2O]+ 150.055500 127.1
[M+HCOO]- 212.056441 155.4
[M+CH3COO]- 226.072091 177.7
[M+Na-2H]- 188.032906 138.7
[M]+ 167.05769142 137.5
[M]- 167.05878858 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