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
[(1S,5R)-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]+ 275.17540 164.9
[M+Na]+ 297.15734 170.0
[M-H]- 273.16084 169.0
[M+NH4]+ 292.20194 182.9
[M+K]+ 313.13128 166.7
[M+H-H2O]+ 257.16538 157.4
[M+HCOO]- 319.16632 182.5
[M+CH3COO]- 333.18197 201.9
[M+Na-2H]- 295.14279 166.6
[M]+ 274.16757 162.8
[M]- 274.16867 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.