CID 248806

94-88-2

Structural Information

Molecular Formula

SMILES

CC1CCCCN1CCCO

InChI

InChI=1S/C9H19NO/c1-9-5-2-3-6-10(9)7-4-8-11/h9,11H,2-8H2,1H3

InChIKey

JNSUUJLFWBSBME-UHFFFAOYSA-N

Compound name

3-(2-methylpiperidin-1-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 157.14667 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]+	158.15395	137.8
[M+Na]+	180.13589	142.6
[M-H]-	156.13939	137.7
[M+NH4]+	175.18049	156.8
[M+K]+	196.10983	141.0
[M+H-H2O]+	140.14393	131.6
[M+HCOO]-	202.14487	155.4
[M+CH3COO]-	216.16052	175.5
[M+Na-2H]-	178.12134	141.8
[M]+	157.14612	133.9
[M]-	157.14722	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe