CID 207224

Brn 1538974

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CC1=CC=CC=C1NC(=O)OC2C[C@H]3CC[C@@H](C2)N3C
InChI
InChI=1S/C16H22N2O2/c1-11-5-3-4-6-15(11)17-16(19)20-14-9-12-7-8-13(10-14)18(12)2/h3-6,12-14H,7-10H2,1-2H3,(H,17,19)/t12-,13+,14?
InChIKey
UGOVGJVCAIFVEQ-PBWFPOADSA-N
Compound name
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16812 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.175396 164.9
[M+Na]+ 297.157338 170.0
[M-H]- 273.160844 169.0
[M+NH4]+ 292.201943 182.9
[M+K]+ 313.131278 166.7
[M+H-H2O]+ 257.165380 157.4
[M+HCOO]- 319.166321 182.5
[M+CH3COO]- 333.181971 201.9
[M+Na-2H]- 295.142786 166.6
[M]+ 274.16757142 162.8
[M]- 274.16866858 162.8
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.