CID 1092113

5-cyclopropyl-1,2-oxazole-3-carboxylic acid

Structural Information

Molecular Formula
C7H7NO3
SMILES
C1CC1C2=CC(=NO2)C(=O)O
InChI
InChI=1S/C7H7NO3/c9-7(10)5-3-6(11-8-5)4-1-2-4/h3-4H,1-2H2,(H,9,10)
InChIKey
OWMVXHFZCCPOTD-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

303
Patents

153.04259 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 129.1
[M+Na]+ 176.03181 139.7
[M-H]- 152.03531 135.3
[M+NH4]+ 171.07641 143.9
[M+K]+ 192.00575 138.2
[M+H-H2O]+ 136.03985 122.9
[M+HCOO]- 198.04079 151.3
[M+CH3COO]- 212.05644 174.8
[M+Na-2H]- 174.01726 134.9
[M]+ 153.04204 132.8
[M]- 153.04314 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe