CID 51358289

4-(hydroxymethyl)piperidine-1-carbonitrile

Structural Information

Molecular Formula
C7H12N2O
SMILES
C1CN(CCC1CO)C#N
InChI
InChI=1S/C7H12N2O/c8-6-9-3-1-7(5-10)2-4-9/h7,10H,1-5H2
InChIKey
FCTBLVBTBKPWLL-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)piperidine-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

140.09496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 126.8
[M+Na]+ 163.084178 134.6
[M-H]- 139.087684 127.1
[M+NH4]+ 158.128783 144.4
[M+K]+ 179.058118 132.5
[M+H-H2O]+ 123.092220 114.5
[M+HCOO]- 185.093161 142.2
[M+CH3COO]- 199.108811 184.0
[M+Na-2H]- 161.069626 132.1
[M]+ 140.09441142 117.7
[M]- 140.09550858 117.7
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