CID 207221

Brn 1544964

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)OC2C[C@H]3CC[C@@H](C2)N3C
InChI
InChI=1S/C17H24N2O2/c1-11-5-4-6-12(2)16(11)18-17(20)21-15-9-13-7-8-14(10-15)19(13)3/h4-6,13-15H,7-10H2,1-3H3,(H,18,20)/t13-,14+,15?
InChIKey
QEBGODUOIZYKNL-YIONKMFJSA-N
Compound name
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(2,6-dimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18378 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 169.7
[M+Na]+ 311.17300 175.3
[M-H]- 287.17650 174.0
[M+NH4]+ 306.21760 187.5
[M+K]+ 327.14694 171.8
[M+H-H2O]+ 271.18104 162.4
[M+HCOO]- 333.18198 186.9
[M+CH3COO]- 347.19763 206.1
[M+Na-2H]- 309.15845 170.2
[M]+ 288.18323 168.4
[M]- 288.18433 168.4
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.