CID 24845563

Ahr 260

Structural Information

Molecular Formula
C21H32NO2
SMILES
CC[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)C3=CC=CC=C3)C
InChI
InChI=1S/C21H32NO2/c1-3-22(2)15-14-19(16-22)24-21(23)20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4,6-7,10-11,18-20H,3,5,8-9,12-16H2,1-2H3/q+1
InChIKey
JCNIVMPGEFCTQR-UHFFFAOYSA-N
Compound name
(1-ethyl-1-methylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.24332 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.25060 185.9
[M+Na]+ 353.23254 186.6
[M-H]- 329.23604 192.3
[M+NH4]+ 348.27714 200.8
[M+K]+ 369.20648 177.5
[M+H-H2O]+ 313.24058 179.4
[M+HCOO]- 375.24152 199.5
[M+CH3COO]- 389.25717 201.1
[M+Na-2H]- 351.21799 184.9
[M]+ 330.24277 178.4
[M]- 330.24387 178.4
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.