CID 103007

3423-25-4

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

CC(C)N1C2CCC1CC(C2)O

InChI

InChI=1S/C10H19NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3

InChIKey

YYDQYSQZIUSKFN-UHFFFAOYSA-N

Compound name

8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 59
Patents: 169.14667 Da
Monoisotopic Mass: 1.6
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]+	170.153946	140.8
[M+Na]+	192.135888	146.5
[M-H]-	168.139394	140.4
[M+NH4]+	187.180493	162.9
[M+K]+	208.109828	144.5
[M+H-H2O]+	152.143930	135.6
[M+HCOO]-	214.144871	155.9
[M+CH3COO]-	228.160521	179.6
[M+Na-2H]-	190.121336	142.9
[M]+	169.14612142	136.9
[M]-	169.14721858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe