CID 3052725

69226-67-1

Structural Information

Molecular Formula
C14H29NO2S
SMILES
CCCC(C(=O)OCCN(CC)CC)SCCC
InChI
InChI=1S/C14H29NO2S/c1-5-9-13(18-12-6-2)14(16)17-11-10-15(7-3)8-4/h13H,5-12H2,1-4H3
InChIKey
RYBKAJGMWWENHP-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-propylsulfanylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1919 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.199176 171.1
[M+Na]+ 298.181118 173.9
[M-H]- 274.184624 171.5
[M+NH4]+ 293.225723 188.1
[M+K]+ 314.155058 173.0
[M+H-H2O]+ 258.189160 164.0
[M+HCOO]- 320.190101 186.8
[M+CH3COO]- 334.205751 207.3
[M+Na-2H]- 296.166566 168.0
[M]+ 275.19135142 178.7
[M]- 275.19244858 178.7
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.