CID 21882557

(4-aminopiperidin-4-yl)methanol dihydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

C1CNCCC1(CO)N

InChI

InChI=1S/C6H14N2O/c7-6(5-9)1-3-8-4-2-6/h8-9H,1-5,7H2

InChIKey

ZURVCSIUFWCRBK-UHFFFAOYSA-N

Compound name

(4-aminopiperidin-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 130.11061 Da
Monoisotopic Mass: -1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	131.117886	129.1
[M+Na]+	153.099828	133.9
[M-H]-	129.103334	127.5
[M+NH4]+	148.144433	149.5
[M+K]+	169.073768	131.9
[M+H-H2O]+	113.107870	123.9
[M+HCOO]-	175.108811	146.6
[M+CH3COO]-	189.124461	166.5
[M+Na-2H]-	151.085276	135.2
[M]+	130.11006142	120.4
[M]-	130.11115858	120.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe