CID 80461560

1511995-75-7

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC1(CC1)C2=CC(=NO2)C(=O)O
InChI
InChI=1S/C8H9NO3/c1-8(2-3-8)6-4-5(7(10)11)9-12-6/h4H,2-3H2,1H3,(H,10,11)
InChIKey
ZLGKVVPLBFAAPL-UHFFFAOYSA-N
Compound name
5-(1-methylcyclopropyl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

167.05824 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 137.7
[M+Na]+ 190.04746 150.1
[M+NH4]+ 185.09206 147.0
[M+K]+ 206.02140 147.5
[M-H]- 166.05096 146.8
[M+Na-2H]- 188.03291 146.4
[M]+ 167.05769 143.2
[M]- 167.05879 143.2
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