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

33
Patents

140.09496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 126.8
[M+Na]+ 163.08418 134.6
[M-H]- 139.08768 127.1
[M+NH4]+ 158.12878 144.4
[M+K]+ 179.05812 132.5
[M+H-H2O]+ 123.09222 114.5
[M+HCOO]- 185.09316 142.2
[M+CH3COO]- 199.10881 184.0
[M+Na-2H]- 161.06963 132.1
[M]+ 140.09441 117.7
[M]- 140.09551 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