CID 207993

T 2439

Structural Information

Molecular Formula
C19H32NO3
SMILES
CC[N+](C)(CC)CCOC(=O)COC1=C(C=CC(=C1)C)C(C)C
InChI
InChI=1S/C19H32NO3/c1-7-20(6,8-2)11-12-22-19(21)14-23-18-13-16(5)9-10-17(18)15(3)4/h9-10,13,15H,7-8,11-12,14H2,1-6H3/q+1
InChIKey
GTUPNUZDRURFTE-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.23822 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.24550 180.2
[M+Na]+ 345.22744 184.8
[M-H]- 321.23094 184.8
[M+NH4]+ 340.27204 195.4
[M+K]+ 361.20138 178.1
[M+H-H2O]+ 305.23548 175.9
[M+HCOO]- 367.23642 200.8
[M+CH3COO]- 381.25207 210.7
[M+Na-2H]- 343.21289 183.5
[M]+ 322.23767 185.7
[M]- 322.23877 185.7
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.