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

93
Patents

168.12627 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.133546 134.5
[M+Na]+ 191.115488 141.6
[M-H]- 167.118994 134.5
[M+NH4]+ 186.160093 151.1
[M+K]+ 207.089428 139.0
[M+H-H2O]+ 151.123530 121.9
[M+HCOO]- 213.124471 149.3
[M+CH3COO]- 227.140121 189.5
[M+Na-2H]- 189.100936 138.9
[M]+ 168.12572142 126.1
[M]- 168.12681858 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