CID 107109

68109-81-9

Structural Information

Molecular Formula
C22H40NO2
SMILES
CC(C)CCCCCCCOCC(C[N+](C)(C)CC1=CC=CC=C1)O
InChI
InChI=1S/C22H40NO2/c1-20(2)13-9-6-5-7-12-16-25-19-22(24)18-23(3,4)17-21-14-10-8-11-15-21/h8,10-11,14-15,20,22,24H,5-7,9,12-13,16-19H2,1-4H3/q+1
InChIKey
MQTKAFXVDAUFTI-UHFFFAOYSA-N
Compound name
benzyl-[2-hydroxy-3-(8-methylnonoxy)propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.3059 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.31318 194.2
[M+Na]+ 373.29512 194.9
[M-H]- 349.29862 195.8
[M+NH4]+ 368.33972 206.8
[M+K]+ 389.26906 186.4
[M+H-H2O]+ 333.30316 189.1
[M+HCOO]- 395.30410 211.8
[M+CH3COO]- 409.31975 214.4
[M+Na-2H]- 371.28057 196.3
[M]+ 350.30535 197.4
[M]- 350.30645 197.4
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.