CID 82597269

1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
CC1=NOC(=C1)C2(CC2)C(=O)O
InChI
InChI=1S/C8H9NO3/c1-5-4-6(12-9-5)8(2-3-8)7(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKey
IHAMPVALSBGFAB-UHFFFAOYSA-N
Compound name
1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

167.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 133.3
[M+Na]+ 190.04746 144.2
[M-H]- 166.05096 139.7
[M+NH4]+ 185.09206 149.4
[M+K]+ 206.02140 143.4
[M+H-H2O]+ 150.05550 128.2
[M+HCOO]- 212.05644 154.9
[M+CH3COO]- 226.07209 177.2
[M+Na-2H]- 188.03291 139.7
[M]+ 167.05769 137.8
[M]- 167.05879 137.8
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