CID 53980

Ug 735

Structural Information

Molecular Formula
C19H36NO2
SMILES
CC[N+](C)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2
InChI
InChI=1S/C19H36NO2/c1-4-20(3,5-2)14-15-22-19(21)18(16-10-6-7-11-16)17-12-8-9-13-17/h16-18H,4-15H2,1-3H3/q+1
InChIKey
CQSINASKZQRORH-UHFFFAOYSA-N
Compound name
2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2746 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.28188 183.8
[M+Na]+ 333.26382 183.2
[M-H]- 309.26732 189.6
[M+NH4]+ 328.30842 201.5
[M+K]+ 349.23776 176.5
[M+H-H2O]+ 293.27186 179.5
[M+HCOO]- 355.27280 201.1
[M+CH3COO]- 369.28845 203.8
[M+Na-2H]- 331.24927 182.4
[M]+ 310.27405 180.0
[M]- 310.27515 180.0
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.