CID 24845447

Brn 1317980

Structural Information

Molecular Formula
C16H28N2O2
SMILES
CC1(C2CCC(O1)(C(C2)NCC(=O)N3CCCC3)C)C
InChI
InChI=1S/C16H28N2O2/c1-15(2)12-6-7-16(3,20-15)13(10-12)17-11-14(19)18-8-4-5-9-18/h12-13,17H,4-11H2,1-3H3
InChIKey
PRAALQBOGYBXJG-UHFFFAOYSA-N
Compound name
1-pyrrolidin-1-yl-2-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)amino]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.2151 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.22238 165.9
[M+Na]+ 303.20432 168.7
[M-H]- 279.20782 164.0
[M+NH4]+ 298.24892 188.8
[M+K]+ 319.17826 166.6
[M+H-H2O]+ 263.21236 159.5
[M+HCOO]- 325.21330 173.1
[M+CH3COO]- 339.22895 174.3
[M+Na-2H]- 301.18977 172.4
[M]+ 280.21455 165.7
[M]- 280.21565 165.7
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.