CID 115599

63990-39-6

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CN1C2CCC1CN(C2)CCOC(=O)C3CCCC3C4=CC=CC=C4
InChI
InChI=1S/C21H30N2O2/c1-22-17-10-11-18(22)15-23(14-17)12-13-25-21(24)20-9-5-8-19(20)16-6-3-2-4-7-16/h2-4,6-7,17-20H,5,8-15H2,1H3
InChIKey
XQCDUWUKRBQSIB-UHFFFAOYSA-N
Compound name
2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethyl 2-phenylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.23074 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.23802 186.5
[M+Na]+ 365.21996 189.1
[M-H]- 341.22346 191.4
[M+NH4]+ 360.26456 201.6
[M+K]+ 381.19390 184.6
[M+H-H2O]+ 325.22800 177.3
[M+HCOO]- 387.22894 199.2
[M+CH3COO]- 401.24459 194.5
[M+Na-2H]- 363.20541 181.8
[M]+ 342.23019 182.6
[M]- 342.23129 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.