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

6
Patents

167.05824 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 133.3
[M+Na]+ 190.047458 144.2
[M-H]- 166.050964 139.7
[M+NH4]+ 185.092063 149.4
[M+K]+ 206.021398 143.4
[M+H-H2O]+ 150.055500 128.2
[M+HCOO]- 212.056441 154.9
[M+CH3COO]- 226.072091 177.2
[M+Na-2H]- 188.032906 139.7
[M]+ 167.05769142 137.8
[M]- 167.05878858 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