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
[(1S,5R)-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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13643 169.9
[M+Na]+ 331.11837 181.2
[M+NH4]+ 326.16297 178.5
[M+K]+ 347.09231 175.8
[M-H]- 307.12187 172.7
[M+Na-2H]- 329.10382 173.1
[M]+ 308.12860 172.4
[M]- 308.12970 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.