CID 214047

Diethyl(6-hydroxyhexyl)methylammonium bromide p-anisate

Structural Information

Molecular Formula
C19H32NO3
SMILES
CC[N+](C)(CC)CCCCCCOC(=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C19H32NO3/c1-5-20(3,6-2)15-9-7-8-10-16-23-19(21)17-11-13-18(22-4)14-12-17/h11-14H,5-10,15-16H2,1-4H3/q+1
InChIKey
ZYLWIFFYHNZOCM-UHFFFAOYSA-N
Compound name
diethyl-[6-(4-methoxybenzoyl)oxyhexyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.23822 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.24550 181.9
[M+Na]+ 345.22744 185.7
[M-H]- 321.23094 185.9
[M+NH4]+ 340.27204 196.7
[M+K]+ 361.20138 178.3
[M+H-H2O]+ 305.23548 177.0
[M+HCOO]- 367.23642 203.4
[M+CH3COO]- 381.25207 208.8
[M+Na-2H]- 343.21289 186.8
[M]+ 322.23767 187.5
[M]- 322.23877 187.5
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.