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]+ 276.19918 171.1
[M+Na]+ 298.18112 173.9
[M-H]- 274.18462 171.5
[M+NH4]+ 293.22572 188.1
[M+K]+ 314.15506 173.0
[M+H-H2O]+ 258.18916 164.0
[M+HCOO]- 320.19010 186.8
[M+CH3COO]- 334.20575 207.3
[M+Na-2H]- 296.16657 168.0
[M]+ 275.19135 178.7
[M]- 275.19245 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.