CID 101681

56144-41-3

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

C[C@@]12CC[C@@H](C1(C)C)CNC2

InChI

InChI=1S/C10H19N/c1-9(2)8-4-5-10(9,3)7-11-6-8/h8,11H,4-7H2,1-3H3/t8-,10+/m1/s1

InChIKey

CHRAJVQLWOMYQI-SCZZXKLOSA-N

Compound name

(1R,5S)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 72
Patents: 153.15175 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]+	154.15903	136.6
[M+Na]+	176.14097	143.9
[M-H]-	152.14447	136.6
[M+NH4]+	171.18557	163.3
[M+K]+	192.11491	140.9
[M+H-H2O]+	136.14901	132.2
[M+HCOO]-	198.14995	152.7
[M+CH3COO]-	212.16560	174.9
[M+Na-2H]-	174.12642	142.7
[M]+	153.15120	132.2
[M]-	153.15230	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe