CID 106962

67907-32-8

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CC1CC(C(C1N)CN)(C)C

InChI

InChI=1S/C9H20N2/c1-6-4-9(2,3)7(5-10)8(6)11/h6-8H,4-5,10-11H2,1-3H3

InChIKey

QKHWUKPTSMULMZ-UHFFFAOYSA-N

Compound name

2-(aminomethyl)-3,3,5-trimethylcyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 652
Patents: 156.16264 Da
Monoisotopic Mass: 1.3
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]+	157.169916	135.4
[M+Na]+	179.151858	142.7
[M-H]-	155.155364	138.4
[M+NH4]+	174.196463	159.8
[M+K]+	195.125798	140.7
[M+H-H2O]+	139.159900	131.3
[M+HCOO]-	201.160841	158.4
[M+CH3COO]-	215.176491	183.6
[M+Na-2H]-	177.137306	137.2
[M]+	156.16209142	131.0
[M]-	156.16318858	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe