CID 123507

2,3-dimethylcyclohexylamine

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC1CCCC(C1C)N

InChI

InChI=1S/C8H17N/c1-6-4-3-5-8(9)7(6)2/h6-8H,3-5,9H2,1-2H3

InChIKey

LKWOOKWVBNSLGN-UHFFFAOYSA-N

Compound name

2,3-dimethylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 871
Patents: 127.1361 Da
Monoisotopic Mass: 2.0
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]+	128.14338	128.1
[M+Na]+	150.12532	138.8
[M+NH4]+	145.16992	137.8
[M+K]+	166.09926	132.5
[M-H]-	126.12882	131.3
[M+Na-2H]-	148.11077	133.3
[M]+	127.13555	130.4
[M]-	127.13665	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe