CID 165558608

2731008-64-1

Structural Information

Molecular Formula
C8H6N2O3
SMILES
C1CC1(C2=CC(=NO2)C#N)C(=O)O
InChI
InChI=1S/C8H6N2O3/c9-4-5-3-6(13-10-5)8(1-2-8)7(11)12/h3H,1-2H2,(H,11,12)
InChIKey
VWIJHBJLLGOCMO-UHFFFAOYSA-N
Compound name
1-(3-cyano-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.03784 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04512 132.7
[M+Na]+ 201.02706 149.4
[M-H]- 177.03056 139.6
[M+NH4]+ 196.07166 148.3
[M+K]+ 217.00100 144.3
[M+H-H2O]+ 161.03510 123.2
[M+HCOO]- 223.03604 152.5
[M+CH3COO]- 237.05169 190.8
[M+Na-2H]- 199.01251 140.5
[M]+ 178.03729 133.5
[M]- 178.03839 133.5
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.