CID 215647

Sa 250

Structural Information

Molecular Formula
C24H46NO2
SMILES
CCCCCC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2
InChI
InChI=1S/C24H46NO2/c1-4-7-8-13-18-25(5-2,6-3)19-20-27-24(26)23(21-14-9-10-15-21)22-16-11-12-17-22/h21-23H,4-20H2,1-3H3/q+1
InChIKey
HAWYIXJSWRGPMA-UHFFFAOYSA-N
Compound name
2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-hexylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.35284 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.36012 206.8
[M+Na]+ 403.34206 204.1
[M-H]- 379.34556 211.6
[M+NH4]+ 398.38666 221.6
[M+K]+ 419.31600 196.1
[M+H-H2O]+ 363.35010 201.6
[M+HCOO]- 425.35104 222.3
[M+CH3COO]- 439.36669 218.5
[M+Na-2H]- 401.32751 202.8
[M]+ 380.35229 204.7
[M]- 380.35339 204.7
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.