CID 12725749

3-(4-hydroxypiperidin-1-yl)propanenitrile

Structural Information

Molecular Formula
C8H14N2O
SMILES
C1CN(CCC1O)CCC#N
InChI
InChI=1S/C8H14N2O/c9-4-1-5-10-6-2-8(11)3-7-10/h8,11H,1-3,5-7H2
InChIKey
JTBAFYUTGVVDSC-UHFFFAOYSA-N
Compound name
3-(4-hydroxypiperidin-1-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

154.11061 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 130.7
[M+Na]+ 177.099828 138.1
[M-H]- 153.103334 130.8
[M+NH4]+ 172.144433 147.8
[M+K]+ 193.073768 135.7
[M+H-H2O]+ 137.107870 118.2
[M+HCOO]- 199.108811 145.7
[M+CH3COO]- 213.124461 186.8
[M+Na-2H]- 175.085276 135.5
[M]+ 154.11006142 121.9
[M]- 154.11115858 121.9
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