CID 52020

73664-07-0

Structural Information

Molecular Formula
C18H30NO2
SMILES
CCC(C1=CC=CC=C1)C(=O)OCCC[N+](C)(CC)CC
InChI
InChI=1S/C18H30NO2/c1-5-17(16-12-9-8-10-13-16)18(20)21-15-11-14-19(4,6-2)7-3/h8-10,12-13,17H,5-7,11,14-15H2,1-4H3/q+1
InChIKey
XWVAWOIPHLYHLC-UHFFFAOYSA-N
Compound name
diethyl-methyl-[3-(2-phenylbutanoyloxy)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.22766 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.23494 174.2
[M+Na]+ 315.21688 177.4
[M-H]- 291.22038 178.2
[M+NH4]+ 310.26148 190.0
[M+K]+ 331.19082 170.3
[M+H-H2O]+ 275.22492 169.8
[M+HCOO]- 337.22586 194.9
[M+CH3COO]- 351.24151 203.5
[M+Na-2H]- 313.20233 179.0
[M]+ 292.22711 177.1
[M]- 292.22821 177.1
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.