CID 4962391

1177354-16-3

Structural Information

Molecular Formula

C₁₁H₂₃N

SMILES

CCC(C)(C)C1CCC(CC1)N

InChI

InChI=1S/C11H23N/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9-10H,4-8,12H2,1-3H3

InChIKey

KEOJIGZPVOCBMK-UHFFFAOYSA-N

Compound name

4-(2-methylbutan-2-yl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 122
Patents: 169.18304 Da
Monoisotopic Mass: 3.1
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	142.5
[M+Na]+	192.17226	146.5
[M-H]-	168.17576	144.7
[M+NH4]+	187.21686	162.6
[M+K]+	208.14620	144.8
[M+H-H2O]+	152.18030	137.2
[M+HCOO]-	214.18124	160.8
[M+CH3COO]-	228.19689	184.1
[M+Na-2H]-	190.15771	145.8
[M]+	169.18249	136.9
[M]-	169.18359	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe