CID 207223

29364-17-8

Structural Information

Molecular Formula

C₁₆H₂₁ClN₂O₂

SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)OC2C[C@H]3CC[C@@H](C2)N3C

InChI

InChI=1S/C16H21ClN2O2/c1-10-4-3-5-14(17)15(10)18-16(20)21-13-8-11-6-7-12(9-13)19(11)2/h3-5,11-13H,6-9H2,1-2H3,(H,18,20)/t11-,12+,13?

InChIKey

GAUUSFHQQUOANG-FUNVUKJBSA-N

Compound name

[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(2-chloro-6-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 308.12915 Da
Monoisotopic Mass: 2.8
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]+	309.136426	173.0
[M+Na]+	331.118368	179.8
[M-H]-	307.121874	177.2
[M+NH4]+	326.162973	190.8
[M+K]+	347.092308	174.8
[M+H-H2O]+	291.126410	166.3
[M+HCOO]-	353.127351	185.9
[M+CH3COO]-	367.143001	206.8
[M+Na-2H]-	329.103816	173.4
[M]+	308.12860142	173.4
[M]-	308.12969858	173.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.