CID 22134406

3-hydroxyoxolane-3-carbonitrile

Structural Information

Molecular Formula
C5H7NO2
SMILES
C1COCC1(C#N)O
InChI
InChI=1S/C5H7NO2/c6-3-5(7)1-2-8-4-5/h7H,1-2,4H2
InChIKey
ZWPMBJQNZNDJDU-UHFFFAOYSA-N
Compound name
3-hydroxyoxolane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

113.047676 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 118.3
[M+Na]+ 136.036894 128.5
[M-H]- 112.040400 121.2
[M+NH4]+ 131.081499 140.3
[M+K]+ 152.010834 127.1
[M+H-H2O]+ 96.044936 107.9
[M+HCOO]- 158.045877 136.9
[M+CH3COO]- 172.061527 176.4
[M+Na-2H]- 134.022342 126.2
[M]+ 113.04712742 112.0
[M]- 113.04822458 112.0
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

patents stripe