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]+ 113.070936 119.6
[M+Na]+ 135.052878 129.0
[M-H]- 111.056384 120.3
[M+NH4]+ 130.097483 139.8
[M+K]+ 151.026818 127.3
[M+H-H2O]+ 95.060920 107.4
[M+HCOO]- 157.061861 137.4
[M+CH3COO]- 171.077511 178.4
[M+Na-2H]- 133.038326 124.5
[M]+ 112.06311142 111.6
[M]- 112.06420858 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