CID 19007

3486-38-2

Structural Information

Molecular Formula
C21H34NO2
SMILES
CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C21H34NO2/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19-20H,4-5,7,10-11,14-17H2,1-3H3/q+1
InChIKey
XSGBQYOBOAAWCG-UHFFFAOYSA-N
Compound name
2-(2-cyclohexyl-2-phenylacetyl)oxyethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.25894 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.26622 185.0
[M+Na]+ 355.24816 184.8
[M-H]- 331.25166 190.7
[M+NH4]+ 350.29276 198.2
[M+K]+ 371.22210 176.9
[M+H-H2O]+ 315.25620 179.1
[M+HCOO]- 377.25714 201.6
[M+CH3COO]- 391.27279 209.2
[M+Na-2H]- 353.23361 187.7
[M]+ 332.25839 181.9
[M]- 332.25949 181.9
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.