CID 24845610

102584-73-6

Structural Information

Molecular Formula
C16H24NO2
SMILES
CCC(=O)OC1(C[N+](CC1C)(C)C)C2=CC=CC=C2
InChI
InChI=1S/C16H24NO2/c1-5-15(18)19-16(14-9-7-6-8-10-14)12-17(3,4)11-13(16)2/h6-10,13H,5,11-12H2,1-4H3/q+1
InChIKey
ULSMUJQAVQDDBQ-UHFFFAOYSA-N
Compound name
(1,1,4-trimethyl-3-phenylpyrrolidin-1-ium-3-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1807 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.18798 160.4
[M+Na]+ 285.16992 167.6
[M-H]- 261.17342 166.1
[M+NH4]+ 280.21452 181.6
[M+K]+ 301.14386 159.5
[M+H-H2O]+ 245.17796 157.0
[M+HCOO]- 307.17890 180.0
[M+CH3COO]- 321.19455 189.3
[M+Na-2H]- 283.15537 165.2
[M]+ 262.18015 159.8
[M]- 262.18125 159.8
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.