CID 79131733

3-cyanooxolane-3-carboxylic acid

Structural Information

Molecular Formula
C6H7NO3
SMILES
C1COCC1(C#N)C(=O)O
InChI
InChI=1S/C6H7NO3/c7-3-6(5(8)9)1-2-10-4-6/h1-2,4H2,(H,8,9)
InChIKey
KUSZTRYSTGOQIU-UHFFFAOYSA-N
Compound name
3-cyanooxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.04259 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 126.2
[M+Na]+ 164.031808 135.8
[M-H]- 140.035314 128.9
[M+NH4]+ 159.076413 146.9
[M+K]+ 180.005748 134.6
[M+H-H2O]+ 124.039850 115.5
[M+HCOO]- 186.040791 143.8
[M+CH3COO]- 200.056441 180.9
[M+Na-2H]- 162.017256 132.3
[M]+ 141.04204142 120.1
[M]- 141.04313858 120.1
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.