CID 55299195

4-(hydroxymethyl)piperidine-4-carbonitrile hydrochloride

Structural Information

Molecular Formula
C7H12N2O
SMILES
C1CNCCC1(CO)C#N
InChI
InChI=1S/C7H12N2O/c8-5-7(6-10)1-3-9-4-2-7/h9-10H,1-4,6H2
InChIKey
FGSXRNOVQKOOFA-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

140.09496 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 129.5
[M+Na]+ 163.084178 137.3
[M-H]- 139.087684 128.8
[M+NH4]+ 158.128783 148.1
[M+K]+ 179.058118 133.9
[M+H-H2O]+ 123.092220 118.1
[M+HCOO]- 185.093161 143.6
[M+CH3COO]- 199.108811 180.3
[M+Na-2H]- 161.069626 135.8
[M]+ 140.09441142 118.7
[M]- 140.09550858 118.7
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