CID 13610534

Niosh/tn1316000

Structural Information

Molecular Formula

C₁₅H₃₀N₂

SMILES

CC1CCCCN1CCCN2CCCCC2C

InChI

InChI=1S/C15H30N2/c1-14-8-3-5-10-16(14)12-7-13-17-11-6-4-9-15(17)2/h14-15H,3-13H2,1-2H3

InChIKey

CMVZHMNTXZVOMV-UHFFFAOYSA-N

Compound name

2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.2409 Da
Monoisotopic Mass: 3.2
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]+	239.24818	163.8
[M+Na]+	261.23012	165.6
[M-H]-	237.23362	165.3
[M+NH4]+	256.27472	178.4
[M+K]+	277.20406	162.5
[M+H-H2O]+	221.23816	154.4
[M+HCOO]-	283.23910	176.3
[M+CH3COO]-	297.25475	194.8
[M+Na-2H]-	259.21557	163.5
[M]+	238.24035	156.3
[M]-	238.24145	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe