CID 107877679

(3s)-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-/m0/s1
InChIKey
DZPZUQDKKCYRAB-YFKPBYRVSA-N
Compound name
(3S)-3-hydroxypyrrolidine-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 119.6
[M+Na]+ 135.05288 129.0
[M-H]- 111.05638 120.3
[M+NH4]+ 130.09748 139.8
[M+K]+ 151.02682 127.3
[M+H-H2O]+ 95.060920 107.4
[M+HCOO]- 157.06186 137.4
[M+CH3COO]- 171.07751 178.4
[M+Na-2H]- 133.03833 124.5
[M]+ 112.06311 111.6
[M]- 112.06421 111.6
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