CID 6438220

Pyrrolidinium, 1-decyl-1-(2-hydroxyethyl)-, bromide, 1-naphthaleneacrylate, (e)-

Structural Information

Molecular Formula
C29H42NO2
SMILES
CCCCCCCCCC[N+]1(CCCC1)CCOC(=O)/C=C/C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C29H42NO2/c1-2-3-4-5-6-7-8-11-21-30(22-12-13-23-30)24-25-32-29(31)20-19-27-17-14-16-26-15-9-10-18-28(26)27/h9-10,14-20H,2-8,11-13,21-25H2,1H3/q+1/b20-19+
InChIKey
PSVBWRZJAZSZMQ-FMQUCBEESA-N
Compound name
2-(1-decylpyrrolidin-1-ium-1-yl)ethyl (E)-3-naphthalen-1-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.32156 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.32884 219.6
[M+Na]+ 459.31078 220.5
[M-H]- 435.31428 222.9
[M+NH4]+ 454.35538 231.6
[M+K]+ 475.28472 207.6
[M+H-H2O]+ 419.31882 211.8
[M+HCOO]- 481.31976 234.2
[M+CH3COO]- 495.33541 222.9
[M+Na-2H]- 457.29623 218.8
[M]+ 436.32101 220.1
[M]- 436.32211 220.1
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.