CID 43436605

2-hydroxy-2-(oxolan-3-yl)acetonitrile

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1COCC1C(C#N)O
InChI
InChI=1S/C6H9NO2/c7-3-6(8)5-1-2-9-4-5/h5-6,8H,1-2,4H2
InChIKey
VCRKYUBLJVLAQI-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(oxolan-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.06333 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 127.4
[M+Na]+ 150.05255 136.1
[M+NH4]+ 145.09715 132.0
[M+K]+ 166.02649 130.7
[M-H]- 126.05605 121.5
[M+Na-2H]- 148.03800 128.4
[M]+ 127.06278 125.8
[M]- 127.06388 125.8
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.