CID 107877694

(3r)-3-hydroxypyrrolidine-1-carbonitrile

Structural Information

Molecular Formula
C5H8N2O
SMILES
C1CN(C[C@@H]1O)C#N
InChI
InChI=1S/C5H8N2O/c6-4-7-2-1-5(8)3-7/h5,8H,1-3H2/t5-/m1/s1
InChIKey
DZPZUQDKKCYRAB-RXMQYKEDSA-N
Compound name
(3R)-3-hydroxypyrrolidine-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.06366 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 123.0
[M+Na]+ 135.05288 132.5
[M+NH4]+ 130.09748 127.7
[M+K]+ 151.02682 126.3
[M-H]- 111.05638 116.0
[M+Na-2H]- 133.03833 124.9
[M]+ 112.06311 121.2
[M]- 112.06421 121.2
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.