CID 18931400

4-hydroxypiperidine-4-carbonitrile hydrochloride

Structural Information

Molecular Formula
C6H10N2O
SMILES
C1CNCCC1(C#N)O
InChI
InChI=1S/C6H10N2O/c7-5-6(9)1-3-8-4-2-6/h8-9H,1-4H2
InChIKey
IMWFFXOXUGKCSH-UHFFFAOYSA-N
Compound name
4-hydroxypiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

126.079315 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 125.7
[M+Na]+ 149.068533 133.9
[M-H]- 125.072039 125.2
[M+NH4]+ 144.113138 144.8
[M+K]+ 165.042473 130.7
[M+H-H2O]+ 109.076575 114.5
[M+HCOO]- 171.077516 140.1
[M+CH3COO]- 185.093166 177.6
[M+Na-2H]- 147.053981 132.5
[M]+ 126.07876642 114.6
[M]- 126.07986358 114.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe