CID 115600

63990-40-9

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CN1C2CCC1CN(C2)CCOC(=O)C3(CCCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H30N2O2/c1-22-18-9-10-19(22)16-23(15-18)13-14-25-20(24)21(11-5-6-12-21)17-7-3-2-4-8-17/h2-4,7-8,18-19H,5-6,9-16H2,1H3
InChIKey
YBTSMQLFDICCCT-UHFFFAOYSA-N
Compound name
2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethyl 1-phenylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.23074 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.238016 186.6
[M+Na]+ 365.219958 189.4
[M-H]- 341.223464 191.4
[M+NH4]+ 360.264563 203.4
[M+K]+ 381.193898 185.0
[M+H-H2O]+ 325.228000 177.2
[M+HCOO]- 387.228941 199.3
[M+CH3COO]- 401.244591 194.6
[M+Na-2H]- 363.205406 183.6
[M]+ 342.23019142 182.6
[M]- 342.23128858 182.6
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.