CID 22484455

(3,3-dimethylcyclohexyl)methanamine

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

CC1(CCCC(C1)CN)C

InChI

InChI=1S/C9H19N/c1-9(2)5-3-4-8(6-9)7-10/h8H,3-7,10H2,1-2H3

InChIKey

LWKSMALURDOKBD-UHFFFAOYSA-N

Compound name

(3,3-dimethylcyclohexyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 141.15175 Da
Monoisotopic Mass: 2.3
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]+	142.15903	133.1
[M+Na]+	164.14097	143.3
[M+NH4]+	159.18557	144.0
[M+K]+	180.11491	134.9
[M-H]-	140.14447	136.1
[M+Na-2H]-	162.12642	139.8
[M]+	141.15120	135.4
[M]-	141.15230	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe