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]+ 142.04987 127.6
[M+Na]+ 164.03181 136.1
[M+NH4]+ 159.07641 132.7
[M+K]+ 180.00575 129.7
[M-H]- 140.03531 121.0
[M+Na-2H]- 162.01726 129.6
[M]+ 141.04204 125.9
[M]- 141.04314 125.9
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.