CID 16794911

2-{[2-(diethylamino)ethyl]sulfanyl}acetic acid hydrochloride

Structural Information

Molecular Formula
C8H17NO2S
SMILES
CCN(CC)CCSCC(=O)O
InChI
InChI=1S/C8H17NO2S/c1-3-9(4-2)5-6-12-7-8(10)11/h3-7H2,1-2H3,(H,10,11)
InChIKey
RDRAHLHBWBXXLH-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethylsulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

191.098 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10528 143.9
[M+Na]+ 214.08722 149.0
[M-H]- 190.09072 143.9
[M+NH4]+ 209.13182 163.6
[M+K]+ 230.06116 148.2
[M+H-H2O]+ 174.09526 138.0
[M+HCOO]- 236.09620 161.0
[M+CH3COO]- 250.11185 186.5
[M+Na-2H]- 212.07267 144.4
[M]+ 191.09745 148.0
[M]- 191.09855 148.0
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

patents stripe