CID 57930232

4-(3-hydroxypropyl)piperidine-1-carbonitrile

Structural Information

Molecular Formula
C9H16N2O
SMILES
C1CN(CCC1CCCO)C#N
InChI
InChI=1S/C9H16N2O/c10-8-11-5-3-9(4-6-11)2-1-7-12/h9,12H,1-7H2
InChIKey
COTUKDXBXNOPQC-UHFFFAOYSA-N
Compound name
4-(3-hydroxypropyl)piperidine-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

168.12627 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 134.5
[M+Na]+ 191.11549 141.6
[M-H]- 167.11899 134.5
[M+NH4]+ 186.16009 151.1
[M+K]+ 207.08943 139.0
[M+H-H2O]+ 151.12353 121.9
[M+HCOO]- 213.12447 149.3
[M+CH3COO]- 227.14012 189.5
[M+Na-2H]- 189.10094 138.9
[M]+ 168.12572 126.1
[M]- 168.12682 126.1
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