CID 215729

36138-32-6

Structural Information

Molecular Formula
C23H44NO2
SMILES
CCCCC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2
InChI
InChI=1S/C23H44NO2/c1-4-7-12-17-24(5-2,6-3)18-19-26-23(25)22(20-13-8-9-14-20)21-15-10-11-16-21/h20-22H,4-19H2,1-3H3/q+1
InChIKey
JOQZRWHPCNARDS-UHFFFAOYSA-N
Compound name
2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-pentylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.33722 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.34450 202.2
[M+Na]+ 389.32644 200.0
[M-H]- 365.32994 207.2
[M+NH4]+ 384.37104 217.6
[M+K]+ 405.30038 192.3
[M+H-H2O]+ 349.33448 197.2
[M+HCOO]- 411.33542 218.1
[M+CH3COO]- 425.35107 215.6
[M+Na-2H]- 387.31189 198.7
[M]+ 366.33667 199.8
[M]- 366.33777 199.8
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.