CID 6433106

Neramexane

Structural Information

Molecular Formula

C₁₁H₂₃N

SMILES

CC1(CC(CC(C1)(C)N)(C)C)C

InChI

InChI=1S/C11H23N/c1-9(2)6-10(3,4)8-11(5,12)7-9/h6-8,12H2,1-5H3

InChIKey

OGZQTTHDGQBLBT-UHFFFAOYSA-N

Compound name

1,3,3,5,5-pentamethylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 54
References: 5039
Patents: 169.18304 Da
Monoisotopic Mass: 2.9
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]+	170.19032	136.2
[M+Na]+	192.17226	143.6
[M-H]-	168.17576	139.8
[M+NH4]+	187.21686	162.7
[M+K]+	208.14620	142.5
[M+H-H2O]+	152.18030	133.5
[M+HCOO]-	214.18124	156.2
[M+CH3COO]-	228.19689	184.2
[M+Na-2H]-	190.15771	142.1
[M]+	169.18249	132.8
[M]-	169.18359	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe