CID 121601455

1597687-08-5

Structural Information

Molecular Formula
C8H11NO3
SMILES
CC1(CC(=NO1)C2CC2)C(=O)O
InChI
InChI=1S/C8H11NO3/c1-8(7(10)11)4-6(9-12-8)5-2-3-5/h5H,2-4H2,1H3,(H,10,11)
InChIKey
PVNQAZNJBMNQGG-UHFFFAOYSA-N
Compound name
3-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0739 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 138.8
[M+Na]+ 192.06312 150.4
[M+NH4]+ 187.10772 148.0
[M+K]+ 208.03706 147.9
[M-H]- 168.06662 147.7
[M+Na-2H]- 190.04857 146.7
[M]+ 169.07335 144.0
[M]- 169.07445 144.0
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

No patent data available for this compound.