CID 59494

102571-18-6

Structural Information

Molecular Formula
C21H40NO2
SMILES
CCC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2
InChI
InChI=1S/C21H40NO2/c1-4-15-22(5-2,6-3)16-17-24-21(23)20(18-11-7-8-12-18)19-13-9-10-14-19/h18-20H,4-17H2,1-3H3/q+1
InChIKey
ZFWATFAVAOBDKZ-UHFFFAOYSA-N
Compound name
2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-propylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.3059 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.31318 193.0
[M+Na]+ 361.29512 191.6
[M-H]- 337.29862 198.5
[M+NH4]+ 356.33972 209.6
[M+K]+ 377.26906 184.4
[M+H-H2O]+ 321.30316 188.4
[M+HCOO]- 383.30410 209.6
[M+CH3COO]- 397.31975 209.7
[M+Na-2H]- 359.28057 190.6
[M]+ 338.30535 189.9
[M]- 338.30645 189.9
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.