CID 62808473

2031242-58-5

Structural Information

Molecular Formula

C₁₁H₂₃NO

SMILES

CC(C)CCOC1CCC(CC1)N

InChI

InChI=1S/C11H23NO/c1-9(2)7-8-13-11-5-3-10(12)4-6-11/h9-11H,3-8,12H2,1-2H3

InChIKey

YDPVIGMFPBXQFH-UHFFFAOYSA-N

Compound name

4-(3-methylbutoxy)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.17796 Da
Monoisotopic Mass: 2.2
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]+	186.18524	146.6
[M+Na]+	208.16718	149.8
[M-H]-	184.17068	148.5
[M+NH4]+	203.21178	165.8
[M+K]+	224.14112	148.7
[M+H-H2O]+	168.17522	140.5
[M+HCOO]-	230.17616	165.7
[M+CH3COO]-	244.19181	186.7
[M+Na-2H]-	206.15263	147.9
[M]+	185.17741	142.3
[M]-	185.17851	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe