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 126.2
[M+Na]+ 164.03181 135.8
[M-H]- 140.03531 128.9
[M+NH4]+ 159.07641 146.9
[M+K]+ 180.00575 134.6
[M+H-H2O]+ 124.03985 115.5
[M+HCOO]- 186.04079 143.8
[M+CH3COO]- 200.05644 180.9
[M+Na-2H]- 162.01726 132.3
[M]+ 141.04204 120.1
[M]- 141.04314 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.