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
[(1R,5S)-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]+ 289.191056 169.7
[M+Na]+ 311.172998 175.3
[M-H]- 287.176504 174.0
[M+NH4]+ 306.217603 187.5
[M+K]+ 327.146938 171.8
[M+H-H2O]+ 271.181040 162.4
[M+HCOO]- 333.181981 186.9
[M+CH3COO]- 347.197631 206.1
[M+Na-2H]- 309.158446 170.2
[M]+ 288.18323142 168.4
[M]- 288.18432858 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

literature stripe

Patent stripe

No patent data available for this compound.