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

20
Patents

154.11061 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 130.7
[M+Na]+ 177.09983 138.1
[M-H]- 153.10333 130.8
[M+NH4]+ 172.14443 147.8
[M+K]+ 193.07377 135.7
[M+H-H2O]+ 137.10787 118.2
[M+HCOO]- 199.10881 145.7
[M+CH3COO]- 213.12446 186.8
[M+Na-2H]- 175.08528 135.5
[M]+ 154.11006 121.9
[M]- 154.11116 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