CID 57880531

4-(pyrazin-2-yl)piperidin-4-oldihydrochloride

Structural Information

Molecular Formula

C₉H₁₃N₃O

SMILES

C1CNCCC1(C2=NC=CN=C2)O

InChI

InChI=1S/C9H13N3O/c13-9(1-3-10-4-2-9)8-7-11-5-6-12-8/h5-7,10,13H,1-4H2

InChIKey

UMZWDQLOOQTUCN-UHFFFAOYSA-N

Compound name

4-pyrazin-2-ylpiperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 179.10587 Da
Monoisotopic Mass: -1.2
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]+	180.11315	140.7
[M+Na]+	202.09509	152.8
[M+NH4]+	197.13969	149.6
[M+K]+	218.06903	144.9
[M-H]-	178.09859	142.2
[M+Na-2H]-	200.08054	149.4
[M]+	179.10532	142.8
[M]-	179.10642	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe