CID 21278324

4-methylpiperidin-3-ol hydrochloride

Structural Information

Molecular Formula

SMILES

CC1CCNCC1O

InChI

InChI=1S/C6H13NO/c1-5-2-3-7-4-6(5)8/h5-8H,2-4H2,1H3

InChIKey

HJZMLEOVXMKSOU-UHFFFAOYSA-N

Compound name

4-methylpiperidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 115.09972 Da
Monoisotopic Mass: 0.1
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]+	116.10700	124.2
[M+Na]+	138.08894	134.6
[M+NH4]+	133.13354	132.7
[M+K]+	154.06288	129.3
[M-H]-	114.09244	124.9
[M+Na-2H]-	136.07439	128.7
[M]+	115.09917	125.6
[M]-	115.10027	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe