CID 24845548

Ahr 259

Structural Information

Molecular Formula
C20H30NO2
SMILES
C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)C3=CC=CC=C3)C
InChI
InChI=1S/C20H30NO2/c1-21(2)14-13-18(15-21)23-20(22)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,17-19H,4,7-8,11-15H2,1-2H3/q+1
InChIKey
HYCBVMAELQUPBW-UHFFFAOYSA-N
Compound name
(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.22766 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.23494 181.4
[M+Na]+ 339.21688 182.5
[M-H]- 315.22038 188.0
[M+NH4]+ 334.26148 196.9
[M+K]+ 355.19082 173.7
[M+H-H2O]+ 299.22492 175.1
[M+HCOO]- 361.22586 195.3
[M+CH3COO]- 375.24151 198.1
[M+Na-2H]- 337.20233 180.9
[M]+ 316.22711 173.6
[M]- 316.22821 173.6
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.