CID 84647908

2193067-43-3

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

CN1CC2CC1(C2)CN

InChI

InChI=1S/C7H14N2/c1-9-4-6-2-7(9,3-6)5-8/h6H,2-5,8H2,1H3

InChIKey

ILKKVQNKJASXHS-UHFFFAOYSA-N

Compound name

(2-methyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 126.1157 Da
Monoisotopic Mass: -0.3
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]+	127.122976	134.0
[M+Na]+	149.104918	140.6
[M-H]-	125.108424	133.8
[M+NH4]+	144.149523	157.1
[M+K]+	165.078858	141.7
[M+H-H2O]+	109.112960	126.4
[M+HCOO]-	171.113901	152.1
[M+CH3COO]-	185.129551	146.7
[M+Na-2H]-	147.090366	141.2
[M]+	126.11515142	144.5
[M]-	126.11624858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe