CID 580040

87168-42-1

Structural Information

Molecular Formula
C15H28N2O2
SMILES
CCN(CC)CCC(=O)OC1CC2CCC(C1)N2C
InChI
InChI=1S/C15H28N2O2/c1-4-17(5-2)9-8-15(18)19-14-10-12-6-7-13(11-14)16(12)3/h12-14H,4-11H2,1-3H3
InChIKey
VFRSYAZEERKDHH-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(diethylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.2151 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.222376 168.3
[M+Na]+ 291.204318 171.6
[M-H]- 267.207824 169.7
[M+NH4]+ 286.248923 187.2
[M+K]+ 307.178258 170.5
[M+H-H2O]+ 251.212360 161.3
[M+HCOO]- 313.213301 185.1
[M+CH3COO]- 327.228951 206.1
[M+Na-2H]- 289.189766 168.0
[M]+ 268.21455142 169.2
[M]- 268.21564858 169.2
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.