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

40
Patents

113.047676 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 120.8
[M+Na]+ 136.03689 130.3
[M+NH4]+ 131.08150 127.0
[M+K]+ 152.01083 123.0
[M-H]- 112.04040 115.2
[M+Na-2H]- 134.02234 124.0
[M]+ 113.04713 119.7
[M]- 113.04822 119.7
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