CID 6444541

1-methyl-1-(2-(2-(1-naphthyl)-4-hexenyloxy)ethyl)pyrrolidinium iodide

Structural Information

Molecular Formula
C23H32NO
SMILES
C/C=C/CC(COCC[N+]1(CCCC1)C)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H32NO/c1-3-4-10-21(19-25-18-17-24(2)15-7-8-16-24)23-14-9-12-20-11-5-6-13-22(20)23/h3-6,9,11-14,21H,7-8,10,15-19H2,1-2H3/q+1/b4-3+
InChIKey
QOIBWIUZBVMNGS-ONEGZZNKSA-N
Compound name
1-methyl-1-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]pyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.24838 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.25566 189.8
[M+Na]+ 361.23760 193.2
[M-H]- 337.24110 194.4
[M+NH4]+ 356.28220 206.1
[M+K]+ 377.21154 181.7
[M+H-H2O]+ 321.24564 183.3
[M+HCOO]- 383.24658 206.2
[M+CH3COO]- 397.26223 205.0
[M+Na-2H]- 359.22305 192.1
[M]+ 338.24783 187.8
[M]- 338.24893 187.8
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.